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/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/ZIKV-8a0f3f73/inputs/seq.fa: 1
curr_seq: _UGGAGAAAGGGCACAGGGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGAGAAAGGGCACAGGGCCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -80.053211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.053211 (E_RNA)
where:
Base-Base interactions energy: -1.871
where: short stacking energy: -1.871
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -131.233889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.233889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.233889 (E_RNA)
where:
Base-Base interactions energy: -61.521
where: short stacking energy: -61.521
Base-Backbone interact. energy: -0.007
local terms energy: -69.706199
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -150.888549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.888549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.888549 (E_RNA)
where:
Base-Base interactions energy: -78.848
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.016
local terms energy: -72.024375
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -117.621594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.621594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.621594 (E_RNA)
where:
Base-Base interactions energy: -53.497
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.164
local terms energy: -63.960139
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -119.371350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.371350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.371350 (E_RNA)
where:
Base-Base interactions energy: -53.679
where: short stacking energy: -51.812
Base-Backbone interact. energy: -0.443
local terms energy: -65.249322
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -117.045669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.045669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.045669 (E_RNA)
where:
Base-Base interactions energy: -52.549
where: short stacking energy: -52.549
Base-Backbone interact. energy: 0.671
local terms energy: -65.167613
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -13.346
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -105.078446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.078446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.078446 (E_RNA)
where:
Base-Base interactions energy: -48.444
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.698
local terms energy: -55.936057
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -96.915111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.915111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.915111 (E_RNA)
where:
Base-Base interactions energy: -46.606
where: short stacking energy: -32.819
Base-Backbone interact. energy: -0.513
local terms energy: -49.795970
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -103.846060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.846060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.846060 (E_RNA)
where:
Base-Base interactions energy: -43.392
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.102
local terms energy: -60.351644
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -1.985
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -87.653245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.653245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.653245 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -35.618
Base-Backbone interact. energy: -0.116
local terms energy: -51.618463
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -7.068
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -89.498371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.498371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.498371 (E_RNA)
where:
Base-Base interactions energy: -48.210
where: short stacking energy: -28.405
Base-Backbone interact. energy: 1.613
local terms energy: -42.901797
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -138.548674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.548674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.548674 (E_RNA)
where:
Base-Base interactions energy: -63.292
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.154
local terms energy: -75.102851
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -149.374542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.374542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.374542 (E_RNA)
where:
Base-Base interactions energy: -86.450
where: short stacking energy: -54.168
Base-Backbone interact. energy: -0.007
local terms energy: -62.917315
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -130.264714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.264714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.264714 (E_RNA)
where:
Base-Base interactions energy: -66.132
where: short stacking energy: -42.311
Base-Backbone interact. energy: -0.274
local terms energy: -63.859101
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -142.053843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.053843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.053843 (E_RNA)
where:
Base-Base interactions energy: -83.774
where: short stacking energy: -51.506
Base-Backbone interact. energy: -0.490
local terms energy: -57.789634
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -12.148
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -98.268742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.268742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.268742 (E_RNA)
where:
Base-Base interactions energy: -37.747
where: short stacking energy: -37.747
Base-Backbone interact. energy: -0.033
local terms energy: -60.488719
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -120.247314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.247314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.247314 (E_RNA)
where:
Base-Base interactions energy: -61.328
where: short stacking energy: -47.470
Base-Backbone interact. energy: -0.467
local terms energy: -58.452399
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -126.888753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.888753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.888753 (E_RNA)
where:
Base-Base interactions energy: -74.569
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.669
local terms energy: -51.651326
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -90.447693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447693 (E_RNA)
where:
Base-Base interactions energy: -43.988
where: short stacking energy: -21.607
Base-Backbone interact. energy: -0.198
local terms energy: -46.261746
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -95.364348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.364348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.364348 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -33.932
Base-Backbone interact. energy: -0.263
local terms energy: -52.954855
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -95.472903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.472903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.472903 (E_RNA)
where:
Base-Base interactions energy: -51.626
where: short stacking energy: -35.775
Base-Backbone interact. energy: -0.798
local terms energy: -43.048839
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: 3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -144.991168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.991168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.991168 (E_RNA)
where:
Base-Base interactions energy: -73.003
where: short stacking energy: -73.003
Base-Backbone interact. energy: -0.005
local terms energy: -71.983362
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -4.552
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -155.625144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.625144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.625144 (E_RNA)
where:
Base-Base interactions energy: -90.250
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.720
local terms energy: -64.655444
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -140.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.724607 (E_RNA)
where:
Base-Base interactions energy: -71.637
where: short stacking energy: -52.698
Base-Backbone interact. energy: 0.055
local terms energy: -69.142654
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -13.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -114.865080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.865080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.865080 (E_RNA)
where:
Base-Base interactions energy: -58.340
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.022
local terms energy: -56.503549
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -6.903
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -124.282908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.282908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.282908 (E_RNA)
where:
Base-Base interactions energy: -62.187
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.071
local terms energy: -62.024547
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -112.154130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.154130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.154130 (E_RNA)
where:
Base-Base interactions energy: -53.173
where: short stacking energy: -30.210
Base-Backbone interact. energy: -0.069
local terms energy: -58.912406
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -8.873
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -95.979533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.979533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.979533 (E_RNA)
where:
Base-Base interactions energy: -40.944
where: short stacking energy: -28.860
Base-Backbone interact. energy: -0.405
local terms energy: -54.630868
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -9.988
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -113.142988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.142988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.142988 (E_RNA)
where:
Base-Base interactions energy: -60.685
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.104
local terms energy: -52.353885
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -3.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -92.456171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.456171 (E_RNA)
where:
Base-Base interactions energy: -40.218
where: short stacking energy: -22.273
Base-Backbone interact. energy: -0.106
local terms energy: -52.131441
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -87.493226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.493226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.493226 (E_RNA)
where:
Base-Base interactions energy: -34.829
where: short stacking energy: -33.289
Base-Backbone interact. energy: -0.002
local terms energy: -52.662574
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -7.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -190.106078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.106078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.106078 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.282
local terms energy: -64.650214
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -152.947574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.947574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.947574 (E_RNA)
where:
Base-Base interactions energy: -83.855
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.060
local terms energy: -69.032686
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -14.498
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -136.909475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.909475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.909475 (E_RNA)
where:
Base-Base interactions energy: -76.790
where: short stacking energy: -41.055
Base-Backbone interact. energy: -1.963
local terms energy: -58.155953
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -116.119976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.119976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.119976 (E_RNA)
where:
Base-Base interactions energy: -57.031
where: short stacking energy: -49.148
Base-Backbone interact. energy: -0.226
local terms energy: -58.862464
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -114.368496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.368496 (E_RNA)
where:
Base-Base interactions energy: -54.080
where: short stacking energy: -37.407
Base-Backbone interact. energy: 0.343
local terms energy: -60.631693
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -4.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -112.227485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.227485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.227485 (E_RNA)
where:
Base-Base interactions energy: -50.841
where: short stacking energy: -50.841
Base-Backbone interact. energy: -0.072
local terms energy: -61.314581
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -91.978109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978109 (E_RNA)
where:
Base-Base interactions energy: -45.663
where: short stacking energy: -29.470
Base-Backbone interact. energy: -0.221
local terms energy: -46.094588
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -99.388702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.388702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.388702 (E_RNA)
where:
Base-Base interactions energy: -46.476
where: short stacking energy: -42.103
Base-Backbone interact. energy: 3.028
local terms energy: -55.940018
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -84.637642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637642 (E_RNA)
where:
Base-Base interactions energy: -41.070
where: short stacking energy: -26.270
Base-Backbone interact. energy: -0.291
local terms energy: -43.276747
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -78.587270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587270 (E_RNA)
where:
Base-Base interactions energy: -25.222
where: short stacking energy: -25.222
Base-Backbone interact. energy: -0.105
local terms energy: -53.259742
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -209.771295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.771295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.771295 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.013
local terms energy: -72.991297
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -161.633255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.633255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.633255 (E_RNA)
where:
Base-Base interactions energy: -92.134
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.080
local terms energy: -69.419391
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -6.306
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -131.256789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.256789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.256789 (E_RNA)
where:
Base-Base interactions energy: -73.144
where: short stacking energy: -54.113
Base-Backbone interact. energy: -0.014
local terms energy: -58.099291
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -0.603
tors. eta vs tors. theta energy: -15.655
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: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -126.521270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.521270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.521270 (E_RNA)
where:
Base-Base interactions energy: -68.189
where: short stacking energy: -52.335
Base-Backbone interact. energy: -0.226
local terms energy: -58.106979
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -120.858483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.858483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.858483 (E_RNA)
where:
Base-Base interactions energy: -55.495
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.172
local terms energy: -65.191832
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -134.754466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.754466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.754466 (E_RNA)
where:
Base-Base interactions energy: -72.995
where: short stacking energy: -51.840
Base-Backbone interact. energy: -0.000
local terms energy: -61.759187
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -87.815880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815880 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -27.192
Base-Backbone interact. energy: -0.780
local terms energy: -54.322584
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -2.587
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -98.648974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.648974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.648974 (E_RNA)
where:
Base-Base interactions energy: -47.575
where: short stacking energy: -36.983
Base-Backbone interact. energy: -0.012
local terms energy: -51.062202
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -6.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -88.466322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466322 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -27.309
Base-Backbone interact. energy: -0.273
local terms energy: -49.133434
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -1.544
tors. eta vs tors. theta energy: -1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -89.888689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.888689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.888689 (E_RNA)
where:
Base-Base interactions energy: -42.517
where: short stacking energy: -33.861
Base-Backbone interact. energy: 1.463
local terms energy: -48.834404
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -4.273
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -208.684944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.684944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.684944 (E_RNA)
where:
Base-Base interactions energy: -132.075
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.206
local terms energy: -76.403713
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -137.476156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.476156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.476156 (E_RNA)
where:
Base-Base interactions energy: -71.096
where: short stacking energy: -41.773
Base-Backbone interact. energy: -0.108
local terms energy: -66.272377
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -149.671092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.671092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.671092 (E_RNA)
where:
Base-Base interactions energy: -88.225
where: short stacking energy: -49.062
Base-Backbone interact. energy: -1.897
local terms energy: -59.548642
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -11.968
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: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -125.329572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.329572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.329572 (E_RNA)
where:
Base-Base interactions energy: -59.650
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.141
local terms energy: -65.539116
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -123.819684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.819684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.819684 (E_RNA)
where:
Base-Base interactions energy: -55.450
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.096
local terms energy: -68.273304
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -15.786
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: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -153.835483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.835483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.835483 (E_RNA)
where:
Base-Base interactions energy: -97.082
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.304
local terms energy: -56.449673
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -96.482015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.482015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.482015 (E_RNA)
where:
Base-Base interactions energy: -43.587
where: short stacking energy: -43.587
Base-Backbone interact. energy: -0.120
local terms energy: -52.775133
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -89.881529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.881529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.881529 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -33.279
Base-Backbone interact. energy: -0.123
local terms energy: -48.023602
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -90.873592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.873592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.873592 (E_RNA)
where:
Base-Base interactions energy: -43.678
where: short stacking energy: -35.446
Base-Backbone interact. energy: 0.666
local terms energy: -47.860820
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -75.186194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.186194 (E_RNA)
where:
Base-Base interactions energy: -32.608
where: short stacking energy: -32.608
Base-Backbone interact. energy: -0.085
local terms energy: -42.493560
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -221.742273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.742273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.742273 (E_RNA)
where:
Base-Base interactions energy: -153.389
where: short stacking energy: -69.017
Base-Backbone interact. energy: -0.851
local terms energy: -67.501997
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -10.385
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: 2, replica: 7
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -145.847609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.847609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.847609 (E_RNA)
where:
Base-Base interactions energy: -82.315
where: short stacking energy: -49.069
Base-Backbone interact. energy: -0.109
local terms energy: -63.423888
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -156.728397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.728397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.728397 (E_RNA)
where:
Base-Base interactions energy: -85.599
where: short stacking energy: -52.182
Base-Backbone interact. energy: -0.430
local terms energy: -70.700119
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -16.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -126.946169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.946169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.946169 (E_RNA)
where:
Base-Base interactions energy: -69.326
where: short stacking energy: -41.530
Base-Backbone interact. energy: -0.362
local terms energy: -57.258720
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -166.050460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.050460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.050460 (E_RNA)
where:
Base-Base interactions energy: -99.261
where: short stacking energy: -39.972
Base-Backbone interact. energy: 0.086
local terms energy: -66.876214
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -124.840107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.840107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.840107 (E_RNA)
where:
Base-Base interactions energy: -58.445
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.136
local terms energy: -66.259420
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -16.001
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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -97.440138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.440138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.440138 (E_RNA)
where:
Base-Base interactions energy: -50.448
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.346
local terms energy: -46.647009
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -5.375
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -109.853238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.853238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.853238 (E_RNA)
where:
Base-Base interactions energy: -56.629
where: short stacking energy: -39.837
Base-Backbone interact. energy: -0.049
local terms energy: -53.175246
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -83.400249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.400249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.400249 (E_RNA)
where:
Base-Base interactions energy: -28.271
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.104
local terms energy: -55.024938
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -5.188
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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -73.612587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.612587 (E_RNA)
where:
Base-Base interactions energy: -25.097
where: short stacking energy: -17.383
Base-Backbone interact. energy: 0.008
local terms energy: -48.523741
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -217.566904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.566904 (E_RNA)
where:
Base-Base interactions energy: -146.165
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.070
local terms energy: -71.331710
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -16.539
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: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -149.251969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.251969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.251969 (E_RNA)
where:
Base-Base interactions energy: -82.510
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.273
local terms energy: -66.469259
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.746
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: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -154.740052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.740052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.740052 (E_RNA)
where:
Base-Base interactions energy: -84.685
where: short stacking energy: -62.213
Base-Backbone interact. energy: -0.002
local terms energy: -70.053035
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -187.489426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.489426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.489426 (E_RNA)
where:
Base-Base interactions energy: -127.953
where: short stacking energy: -59.241
Base-Backbone interact. energy: -0.072
local terms energy: -59.463830
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -134.512657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.512657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.512657 (E_RNA)
where:
Base-Base interactions energy: -71.706
where: short stacking energy: -57.874
Base-Backbone interact. energy: -0.091
local terms energy: -62.715504
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -7.698
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: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -103.442156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.442156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.442156 (E_RNA)
where:
Base-Base interactions energy: -50.243
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.273
local terms energy: -52.925736
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -11.358
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: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -101.623279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.623279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.623279 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -40.234
Base-Backbone interact. energy: 1.092
local terms energy: -60.192244
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -3.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -99.715135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.715135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.715135 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.083
local terms energy: -55.793684
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -97.490232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.490232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.490232 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.610
local terms energy: -58.396571
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -11.478
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: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -79.174042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.174042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.174042 (E_RNA)
where:
Base-Base interactions energy: -24.601
where: short stacking energy: -22.623
Base-Backbone interact. energy: -0.746
local terms energy: -53.826394
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -212.596637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.596637 (E_RNA)
where:
Base-Base interactions energy: -139.503
where: short stacking energy: -66.430
Base-Backbone interact. energy: -0.017
local terms energy: -73.076495
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -17.483
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: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -158.728913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.728913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.728913 (E_RNA)
where:
Base-Base interactions energy: -87.739
where: short stacking energy: -52.628
Base-Backbone interact. energy: 0.566
local terms energy: -71.555911
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.507
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: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -186.281265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.281265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.281265 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.080
local terms energy: -63.200170
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -142.277003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.277003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.277003 (E_RNA)
where:
Base-Base interactions energy: -74.457
where: short stacking energy: -47.458
Base-Backbone interact. energy: 0.356
local terms energy: -68.175796
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -157.784035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.784035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.784035 (E_RNA)
where:
Base-Base interactions energy: -99.886
where: short stacking energy: -48.026
Base-Backbone interact. energy: -0.405
local terms energy: -57.493846
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -8.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -113.840482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.840482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.840482 (E_RNA)
where:
Base-Base interactions energy: -61.475
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.006
local terms energy: -52.359452
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -99.542366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.542366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.542366 (E_RNA)
where:
Base-Base interactions energy: -48.264
where: short stacking energy: -39.127
Base-Backbone interact. energy: -0.217
local terms energy: -51.060926
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -89.704796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704796 (E_RNA)
where:
Base-Base interactions energy: -41.936
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.158
local terms energy: -47.610328
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -11.049
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: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -93.451709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451709 (E_RNA)
where:
Base-Base interactions energy: -46.050
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.164
local terms energy: -47.237072
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -91.048773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.048773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.048773 (E_RNA)
where:
Base-Base interactions energy: -47.519
where: short stacking energy: -36.627
Base-Backbone interact. energy: -0.219
local terms energy: -43.310598
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -6.400
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -215.304347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304347 (E_RNA)
where:
Base-Base interactions energy: -137.961
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.003
local terms energy: -77.340170
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -16.989
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: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -192.690038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.690038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.690038 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.018
local terms energy: -62.633291
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -5.251
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -131.135265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.135265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.135265 (E_RNA)
where:
Base-Base interactions energy: -75.717
where: short stacking energy: -40.122
Base-Backbone interact. energy: -0.453
local terms energy: -54.965077
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -9.905
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: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -184.628294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.628294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.628294 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -67.544
Base-Backbone interact. energy: 0.236
local terms energy: -61.852327
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -14.539
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: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -124.446781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.446781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.446781 (E_RNA)
where:
Base-Base interactions energy: -74.089
where: short stacking energy: -43.285
Base-Backbone interact. energy: 0.203
local terms energy: -50.561774
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -0.986
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -128.068004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.068004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.068004 (E_RNA)
where:
Base-Base interactions energy: -67.225
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.404
local terms energy: -60.438980
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -107.331065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.331065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.331065 (E_RNA)
where:
Base-Base interactions energy: -54.371
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.116
local terms energy: -52.843327
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -88.110349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110349 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -27.221
Base-Backbone interact. energy: -0.208
local terms energy: -59.908035
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -79.414522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414522 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -25.582
Base-Backbone interact. energy: -0.013
local terms energy: -51.726703
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.870
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: 4
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -89.421883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.421883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.421883 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -21.517
Base-Backbone interact. energy: 1.026
local terms energy: -52.450455
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -187.198640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.198640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.198640 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -64.109
Base-Backbone interact. energy: -1.148
local terms energy: -63.578594
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -211.280277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.280277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.280277 (E_RNA)
where:
Base-Base interactions energy: -134.459
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.004
local terms energy: -76.817640
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -7.947
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: 3, replica: 10
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -193.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.124584 (E_RNA)
where:
Base-Base interactions energy: -129.258
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.048
local terms energy: -63.817681
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -145.447634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.447634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.447634 (E_RNA)
where:
Base-Base interactions energy: -90.430
where: short stacking energy: -33.576
Base-Backbone interact. energy: 0.250
local terms energy: -55.267289
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -124.179617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.179617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.179617 (E_RNA)
where:
Base-Base interactions energy: -65.662
where: short stacking energy: -48.191
Base-Backbone interact. energy: -0.854
local terms energy: -57.663586
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -128.793493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.793493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.793493 (E_RNA)
where:
Base-Base interactions energy: -68.398
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.119
local terms energy: -60.275688
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -98.369549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369549 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.168
local terms energy: -53.833333
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -86.447217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.447217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.447217 (E_RNA)
where:
Base-Base interactions energy: -26.825
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.261
local terms energy: -59.361318
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -78.465806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.465806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.465806 (E_RNA)
where:
Base-Base interactions energy: -29.640
where: short stacking energy: -29.640
Base-Backbone interact. energy: -0.295
local terms energy: -48.530943
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -78.587397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.587397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.587397 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -25.352
Base-Backbone interact. energy: -0.414
local terms energy: -48.497242
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -202.068028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.068028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.068028 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.005
local terms energy: -71.286791
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -199.697338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.697338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.697338 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -60.570
Base-Backbone interact. energy: -0.629
local terms energy: -61.563685
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -191.594066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594066 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -53.155
Base-Backbone interact. energy: 0.578
local terms energy: -71.669299
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -150.388520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.388520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.388520 (E_RNA)
where:
Base-Base interactions energy: -87.243
where: short stacking energy: -47.785
Base-Backbone interact. energy: 0.590
local terms energy: -63.735414
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -130.747044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.747044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.747044 (E_RNA)
where:
Base-Base interactions energy: -64.655
where: short stacking energy: -55.355
Base-Backbone interact. energy: 0.423
local terms energy: -66.514277
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -148.797064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.797064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.797064 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.138
local terms energy: -63.563751
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -12.964
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: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.228767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.228767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.228767 (E_RNA)
where:
Base-Base interactions energy: -45.115
where: short stacking energy: -38.213
Base-Backbone interact. energy: -0.038
local terms energy: -55.076525
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -8.578
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: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -93.743893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.743893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.743893 (E_RNA)
where:
Base-Base interactions energy: -41.543
where: short stacking energy: -41.481
Base-Backbone interact. energy: -0.368
local terms energy: -51.832953
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -101.681751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.681751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.681751 (E_RNA)
where:
Base-Base interactions energy: -49.551
where: short stacking energy: -48.418
Base-Backbone interact. energy: -0.002
local terms energy: -52.129347
where:
bonds (distance) C4'-P energy: -6.601
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -95.988824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.988824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.988824 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -34.034
Base-Backbone interact. energy: -0.018
local terms energy: -61.936738
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -210.643754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.643754 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -69.550
Base-Backbone interact. energy: -0.007
local terms energy: -67.024731
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -10.750
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -207.578273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.578273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.578273 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.025
local terms energy: -71.189055
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -201.716251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.716251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.716251 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.449
local terms energy: -66.063153
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -152.442382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.442382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.442382 (E_RNA)
where:
Base-Base interactions energy: -90.227
where: short stacking energy: -44.722
Base-Backbone interact. energy: -0.725
local terms energy: -61.490268
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -9.076
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -159.939008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.939008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.939008 (E_RNA)
where:
Base-Base interactions energy: -97.777
where: short stacking energy: -56.726
Base-Backbone interact. energy: -0.095
local terms energy: -62.067382
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -12.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -128.884906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.884906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.884906 (E_RNA)
where:
Base-Base interactions energy: -75.669
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.187
local terms energy: -53.029148
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -91.787696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.787696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.787696 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.039
local terms energy: -55.796667
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -106.152745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.152745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.152745 (E_RNA)
where:
Base-Base interactions energy: -43.587
where: short stacking energy: -31.106
Base-Backbone interact. energy: -0.247
local terms energy: -62.317919
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -82.601842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.601842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.601842 (E_RNA)
where:
Base-Base interactions energy: -41.212
where: short stacking energy: -27.811
Base-Backbone interact. energy: -0.272
local terms energy: -41.117780
where:
bonds (distance) C4'-P energy: -5.942
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -95.404836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404836 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -37.536
Base-Backbone interact. energy: -0.619
local terms energy: -57.077197
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -13.369
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: 1, replica: 10
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -201.067877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067877 (E_RNA)
where:
Base-Base interactions energy: -135.981
where: short stacking energy: -65.948
Base-Backbone interact. energy: -0.117
local terms energy: -64.970723
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -207.929964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.929964 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -66.601
Base-Backbone interact. energy: -0.005
local terms energy: -76.868257
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -202.457661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457661 (E_RNA)
where:
Base-Base interactions energy: -136.482
where: short stacking energy: -69.868
Base-Backbone interact. energy: -0.422
local terms energy: -65.553624
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -180.250412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.250412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.250412 (E_RNA)
where:
Base-Base interactions energy: -112.642
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.402
local terms energy: -67.205981
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -117.809683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.809683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.809683 (E_RNA)
where:
Base-Base interactions energy: -58.841
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.748
local terms energy: -58.220486
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -7.364
flat angles P-C4'-P energy: -7.737
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: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -101.253382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.253382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.253382 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.045
local terms energy: -60.286685
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -105.692681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.692681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.692681 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -42.172
Base-Backbone interact. energy: -0.487
local terms energy: -55.703435
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -8.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -87.673858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.673858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.673858 (E_RNA)
where:
Base-Base interactions energy: -41.127
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.264
local terms energy: -46.282771
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -97.226535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.226535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.226535 (E_RNA)
where:
Base-Base interactions energy: -45.266
where: short stacking energy: -31.567
Base-Backbone interact. energy: -0.685
local terms energy: -51.275817
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -82.837891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.837891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.837891 (E_RNA)
where:
Base-Base interactions energy: -33.037
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.192
local terms energy: -49.609406
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -3.882
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -210.972801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.972801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.972801 (E_RNA)
where:
Base-Base interactions energy: -142.737
where: short stacking energy: -78.866
Base-Backbone interact. energy: -1.962
local terms energy: -66.272938
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -16.289
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: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -207.310212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.310212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310212 (E_RNA)
where:
Base-Base interactions energy: -138.153
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.012
local terms energy: -69.145142
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -6.079
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -204.081390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.081390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.081390 (E_RNA)
where:
Base-Base interactions energy: -134.746
where: short stacking energy: -60.326
Base-Backbone interact. energy: -0.101
local terms energy: -69.234828
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -197.832317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.832317 (E_RNA)
where:
Base-Base interactions energy: -132.019
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.145
local terms energy: -65.668034
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -124.748695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.748695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.748695 (E_RNA)
where:
Base-Base interactions energy: -56.690
where: short stacking energy: -56.690
Base-Backbone interact. energy: 0.288
local terms energy: -68.346257
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -158.574626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.574626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.574626 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -45.975
Base-Backbone interact. energy: -0.005
local terms energy: -55.434008
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -7.646
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: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -101.775572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.775572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.775572 (E_RNA)
where:
Base-Base interactions energy: -48.036
where: short stacking energy: -28.743
Base-Backbone interact. energy: -0.635
local terms energy: -53.103835
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -96.536600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.536600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.536600 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.152
local terms energy: -50.277452
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.382
flat angles P-C4'-P energy: -9.290
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: 9, replica: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -92.847067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.847067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.847067 (E_RNA)
where:
Base-Base interactions energy: -40.409
where: short stacking energy: -39.980
Base-Backbone interact. energy: 1.946
local terms energy: -54.383675
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -83.826612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.826612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.826612 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.043
local terms energy: -51.845670
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -9.383
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: 1, replica: 10
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -215.138103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138103 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.033
local terms energy: -70.546407
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -212.345725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.345725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.345725 (E_RNA)
where:
Base-Base interactions energy: -135.558
where: short stacking energy: -64.526
Base-Backbone interact. energy: -0.131
local terms energy: -76.656053
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -212.650788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.650788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.650788 (E_RNA)
where:
Base-Base interactions energy: -139.073
where: short stacking energy: -70.750
Base-Backbone interact. energy: 1.383
local terms energy: -74.960237
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -187.811559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.811559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.811559 (E_RNA)
where:
Base-Base interactions energy: -121.799
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.010
local terms energy: -66.002611
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -116.252245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.252245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.252245 (E_RNA)
where:
Base-Base interactions energy: -48.965
where: short stacking energy: -46.546
Base-Backbone interact. energy: -0.808
local terms energy: -66.479303
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -179.387963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387963 (E_RNA)
where:
Base-Base interactions energy: -115.677
where: short stacking energy: -55.813
Base-Backbone interact. energy: 0.174
local terms energy: -63.885182
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -106.379994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.379994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.379994 (E_RNA)
where:
Base-Base interactions energy: -50.451
where: short stacking energy: -34.137
Base-Backbone interact. energy: -1.214
local terms energy: -54.714527
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -93.613156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.613156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.613156 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -36.691
Base-Backbone interact. energy: -0.317
local terms energy: -43.521384
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -8.307
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: 17
Temperature: 1.300000
Total energy: -86.375861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.375861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.375861 (E_RNA)
where:
Base-Base interactions energy: -30.138
where: short stacking energy: -27.543
Base-Backbone interact. energy: -1.052
local terms energy: -55.186304
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -153.307838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.307838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.307838 (E_RNA)
where:
Base-Base interactions energy: -97.587
where: short stacking energy: -47.616
Base-Backbone interact. energy: -1.429
local terms energy: -54.291031
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -207.891698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.891698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.891698 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -70.188
Base-Backbone interact. energy: -0.107
local terms energy: -68.254601
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -210.548912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.548912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.548912 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.004
local terms energy: -71.628893
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -198.290215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.290215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.290215 (E_RNA)
where:
Base-Base interactions energy: -120.283
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.531
local terms energy: -77.475764
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -16.762
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: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -196.123041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.123041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.123041 (E_RNA)
where:
Base-Base interactions energy: -133.611
where: short stacking energy: -62.869
Base-Backbone interact. energy: -0.082
local terms energy: -62.430511
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -14.059
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: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -192.656072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.656072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.656072 (E_RNA)
where:
Base-Base interactions energy: -124.461
where: short stacking energy: -51.198
Base-Backbone interact. energy: -0.465
local terms energy: -67.730471
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -14.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -111.601928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.601928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.601928 (E_RNA)
where:
Base-Base interactions energy: -54.853
where: short stacking energy: -45.844
Base-Backbone interact. energy: 0.197
local terms energy: -56.945508
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -101.621088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.621088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.621088 (E_RNA)
where:
Base-Base interactions energy: -42.959
where: short stacking energy: -38.732
Base-Backbone interact. energy: -0.712
local terms energy: -57.949736
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -100.631241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.631241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.631241 (E_RNA)
where:
Base-Base interactions energy: -47.089
where: short stacking energy: -47.089
Base-Backbone interact. energy: -0.066
local terms energy: -53.476080
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -147.523531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.523531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.523531 (E_RNA)
where:
Base-Base interactions energy: -90.903
where: short stacking energy: -44.065
Base-Backbone interact. energy: -0.476
local terms energy: -56.145174
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -84.926342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926342 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.314
local terms energy: -47.944458
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -203.972932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.972932 (E_RNA)
where:
Base-Base interactions energy: -141.089
where: short stacking energy: -59.138
Base-Backbone interact. energy: -0.056
local terms energy: -62.827541
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -202.606165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.606165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.606165 (E_RNA)
where:
Base-Base interactions energy: -132.916
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.016
local terms energy: -69.673853
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -190.764363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.764363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.764363 (E_RNA)
where:
Base-Base interactions energy: -122.733
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.001
local terms energy: -68.030540
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -199.518140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.518140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518140 (E_RNA)
where:
Base-Base interactions energy: -130.195
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.742
local terms energy: -68.581424
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -17.218
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: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -197.715885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.715885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.715885 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.232
local terms energy: -67.070157
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -18.536
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: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -110.589260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.589260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.589260 (E_RNA)
where:
Base-Base interactions energy: -54.529
where: short stacking energy: -39.581
Base-Backbone interact. energy: -0.515
local terms energy: -55.545469
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -97.257638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.257638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.257638 (E_RNA)
where:
Base-Base interactions energy: -56.920
where: short stacking energy: -34.389
Base-Backbone interact. energy: -1.081
local terms energy: -39.257158
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -169.800189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.800189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.800189 (E_RNA)
where:
Base-Base interactions energy: -117.028
where: short stacking energy: -50.820
Base-Backbone interact. energy: -0.018
local terms energy: -52.754401
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -84.061216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.061216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.061216 (E_RNA)
where:
Base-Base interactions energy: -46.221
where: short stacking energy: -35.211
Base-Backbone interact. energy: -0.878
local terms energy: -36.962191
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -3.947
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -80.457981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457981 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.037
local terms energy: -54.058950
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -203.875832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.875832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.875832 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.053
local terms energy: -70.681954
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -198.927365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.927365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.927365 (E_RNA)
where:
Base-Base interactions energy: -128.923
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.355
local terms energy: -69.649150
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -197.927702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.927702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.927702 (E_RNA)
where:
Base-Base interactions energy: -124.477
where: short stacking energy: -62.335
Base-Backbone interact. energy: 0.494
local terms energy: -73.944127
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -192.647915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.647915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.647915 (E_RNA)
where:
Base-Base interactions energy: -124.497
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.016
local terms energy: -68.135100
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -174.897794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.897794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.897794 (E_RNA)
where:
Base-Base interactions energy: -108.382
where: short stacking energy: -46.831
Base-Backbone interact. energy: -0.346
local terms energy: -66.169684
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -107.155985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.155985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.155985 (E_RNA)
where:
Base-Base interactions energy: -64.703
where: short stacking energy: -35.770
Base-Backbone interact. energy: -0.117
local terms energy: -42.336021
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -163.723083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.723083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.723083 (E_RNA)
where:
Base-Base interactions energy: -103.141
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.551
local terms energy: -60.030371
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -11.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -94.859083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.859083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.859083 (E_RNA)
where:
Base-Base interactions energy: -41.806
where: short stacking energy: -41.416
Base-Backbone interact. energy: -0.003
local terms energy: -53.050206
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -5.452
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: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -87.293006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.293006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.293006 (E_RNA)
where:
Base-Base interactions energy: -32.638
where: short stacking energy: -32.638
Base-Backbone interact. energy: 0.049
local terms energy: -54.703200
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -2.089
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: 10, replica: 2
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -72.908189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.908189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.908189 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -29.857
Base-Backbone interact. energy: -0.092
local terms energy: -40.918003
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -212.711698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.711698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.711698 (E_RNA)
where:
Base-Base interactions energy: -138.557
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.222
local terms energy: -73.933208
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -193.675629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.675629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.675629 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.023
local terms energy: -72.165058
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -192.486622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.486622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.486622 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -57.631
Base-Backbone interact. energy: -0.116
local terms energy: -68.142885
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -198.802537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802537 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -60.483
Base-Backbone interact. energy: 1.504
local terms energy: -68.038763
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -178.344230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.344230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.344230 (E_RNA)
where:
Base-Base interactions energy: -110.157
where: short stacking energy: -48.895
Base-Backbone interact. energy: -0.300
local terms energy: -67.887313
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -11.444
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: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -168.907564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.907564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.907564 (E_RNA)
where:
Base-Base interactions energy: -105.190
where: short stacking energy: -50.949
Base-Backbone interact. energy: 0.153
local terms energy: -63.870935
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -163.833819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833819 (E_RNA)
where:
Base-Base interactions energy: -105.543
where: short stacking energy: -50.718
Base-Backbone interact. energy: -0.556
local terms energy: -57.735209
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -6.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -85.406082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406082 (E_RNA)
where:
Base-Base interactions energy: -53.149
where: short stacking energy: -34.837
Base-Backbone interact. energy: -0.769
local terms energy: -31.487763
where:
bonds (distance) C4'-P energy: -8.274
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -1.490
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -88.871343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.871343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.871343 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -18.905
Base-Backbone interact. energy: -0.578
local terms energy: -51.953942
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -11.940
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: 10, replica: 2
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -88.647687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.647687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.647687 (E_RNA)
where:
Base-Base interactions energy: -45.312
where: short stacking energy: -36.607
Base-Backbone interact. energy: 0.722
local terms energy: -44.057065
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -202.678783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.678783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.678783 (E_RNA)
where:
Base-Base interactions energy: -127.621
where: short stacking energy: -67.096
Base-Backbone interact. energy: -1.244
local terms energy: -73.813333
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -205.689056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.689056 (E_RNA)
where:
Base-Base interactions energy: -127.980
where: short stacking energy: -67.845
Base-Backbone interact. energy: -0.195
local terms energy: -77.514542
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -212.863437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.863437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.863437 (E_RNA)
where:
Base-Base interactions energy: -138.024
where: short stacking energy: -71.616
Base-Backbone interact. energy: -0.112
local terms energy: -74.728178
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -21.557
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: 22
Temperature: 1.050000
Total energy: -183.095844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.095844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.095844 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.101
local terms energy: -70.745377
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -14.147
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -188.097294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.097294 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -68.595
Base-Backbone interact. energy: -0.087
local terms energy: -64.571516
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -183.685507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.685507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.685507 (E_RNA)
where:
Base-Base interactions energy: -113.299
where: short stacking energy: -62.278
Base-Backbone interact. energy: -1.048
local terms energy: -69.338455
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -184.910356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.910356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.910356 (E_RNA)
where:
Base-Base interactions energy: -118.604
where: short stacking energy: -59.534
Base-Backbone interact. energy: -0.157
local terms energy: -66.149949
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -95.196338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.196338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.196338 (E_RNA)
where:
Base-Base interactions energy: -40.549
where: short stacking energy: -38.925
Base-Backbone interact. energy: -0.137
local terms energy: -54.510639
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -5.643
tors. eta vs tors. theta energy: -8.586
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: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -109.300729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.300729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.300729 (E_RNA)
where:
Base-Base interactions energy: -59.508
where: short stacking energy: -36.146
Base-Backbone interact. energy: -0.151
local terms energy: -49.641050
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -87.966262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966262 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -34.695
Base-Backbone interact. energy: -0.238
local terms energy: -51.133553
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -208.452044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.452044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.452044 (E_RNA)
where:
Base-Base interactions energy: -135.784
where: short stacking energy: -71.873
Base-Backbone interact. energy: -0.009
local terms energy: -72.659282
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -13.364
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: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -207.233745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.233745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.233745 (E_RNA)
where:
Base-Base interactions energy: -127.903
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.067
local terms energy: -79.263119
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -202.986474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.986474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.986474 (E_RNA)
where:
Base-Base interactions energy: -130.559
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.085
local terms energy: -72.342341
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -181.895062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.895062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.895062 (E_RNA)
where:
Base-Base interactions energy: -119.672
where: short stacking energy: -54.887
Base-Backbone interact. energy: 0.459
local terms energy: -62.682446
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -185.332679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332679 (E_RNA)
where:
Base-Base interactions energy: -125.911
where: short stacking energy: -58.463
Base-Backbone interact. energy: 2.361
local terms energy: -61.782306
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -9.556
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: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -175.979593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.979593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.979593 (E_RNA)
where:
Base-Base interactions energy: -107.167
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.900
local terms energy: -67.912758
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -173.324925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324925 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.258
local terms energy: -61.955035
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -10.312
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: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -91.197227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197227 (E_RNA)
where:
Base-Base interactions energy: -35.685
where: short stacking energy: -26.831
Base-Backbone interact. energy: -0.323
local terms energy: -55.188810
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -6.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -85.050822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.050822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.050822 (E_RNA)
where:
Base-Base interactions energy: -27.428
where: short stacking energy: -21.375
Base-Backbone interact. energy: -0.138
local terms energy: -57.484547
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -0.604
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: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -92.824942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.824942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.824942 (E_RNA)
where:
Base-Base interactions energy: -43.066
where: short stacking energy: -42.305
Base-Backbone interact. energy: -0.589
local terms energy: -49.170369
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -208.449395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.449395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.449395 (E_RNA)
where:
Base-Base interactions energy: -142.217
where: short stacking energy: -71.062
Base-Backbone interact. energy: 0.123
local terms energy: -66.355318
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -207.890656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.890656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.890656 (E_RNA)
where:
Base-Base interactions energy: -129.877
where: short stacking energy: -70.038
Base-Backbone interact. energy: -0.002
local terms energy: -78.011583
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -16.423
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: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -206.542282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.542282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.542282 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.784
local terms energy: -65.909367
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -190.042888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.042888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.042888 (E_RNA)
where:
Base-Base interactions energy: -128.981
where: short stacking energy: -66.517
Base-Backbone interact. energy: -0.393
local terms energy: -60.668529
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -11.294
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: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -188.076570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.076570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.076570 (E_RNA)
where:
Base-Base interactions energy: -122.055
where: short stacking energy: -59.842
Base-Backbone interact. energy: -0.039
local terms energy: -65.982255
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -195.318470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.318470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.318470 (E_RNA)
where:
Base-Base interactions energy: -124.458
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.008
local terms energy: -70.852482
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -16.969
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: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -179.020014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.020014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.020014 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -50.482
Base-Backbone interact. energy: -1.001
local terms energy: -67.726665
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.130
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -125.416362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.416362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.416362 (E_RNA)
where:
Base-Base interactions energy: -60.877
where: short stacking energy: -44.869
Base-Backbone interact. energy: -0.038
local terms energy: -64.501360
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -87.729993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729993 (E_RNA)
where:
Base-Base interactions energy: -34.902
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.164
local terms energy: -52.664492
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -90.162659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.162659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.162659 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.732
local terms energy: -55.116037
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -212.563402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.563402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.563402 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.894
local terms energy: -78.080858
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -230.387427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.387427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.387427 (E_RNA)
where:
Base-Base interactions energy: -155.568
where: short stacking energy: -64.280
Base-Backbone interact. energy: -0.880
local terms energy: -73.938986
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.933
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: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -196.258106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.258106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.258106 (E_RNA)
where:
Base-Base interactions energy: -125.680
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.122
local terms energy: -70.455564
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -9.679
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: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -188.050428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.050428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.050428 (E_RNA)
where:
Base-Base interactions energy: -121.916
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.057
local terms energy: -66.076898
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -13.537
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: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -194.220276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.220276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.220276 (E_RNA)
where:
Base-Base interactions energy: -133.988
where: short stacking energy: -51.133
Base-Backbone interact. energy: 0.220
local terms energy: -60.452318
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -8.449
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: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -175.301754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.301754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.301754 (E_RNA)
where:
Base-Base interactions energy: -108.789
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.121
local terms energy: -66.391474
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -173.882076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.882076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.882076 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -55.897
Base-Backbone interact. energy: -0.398
local terms energy: -55.500712
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -92.298100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.298100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.298100 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -35.914
Base-Backbone interact. energy: -0.432
local terms energy: -54.103793
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -110.407005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.407005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.407005 (E_RNA)
where:
Base-Base interactions energy: -56.181
where: short stacking energy: -40.996
Base-Backbone interact. energy: -0.242
local terms energy: -53.984580
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -86.989076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.989076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.989076 (E_RNA)
where:
Base-Base interactions energy: -34.356
where: short stacking energy: -35.086
Base-Backbone interact. energy: 0.195
local terms energy: -52.828255
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -238.040866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.040866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.040866 (E_RNA)
where:
Base-Base interactions energy: -164.930
where: short stacking energy: -67.734
Base-Backbone interact. energy: 0.504
local terms energy: -73.615062
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -194.418490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.418490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.418490 (E_RNA)
where:
Base-Base interactions energy: -119.566
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.023
local terms energy: -74.828916
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -209.387230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.387230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.387230 (E_RNA)
where:
Base-Base interactions energy: -134.413
where: short stacking energy: -71.909
Base-Backbone interact. energy: 0.660
local terms energy: -75.634288
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -189.990701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.990701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.990701 (E_RNA)
where:
Base-Base interactions energy: -127.050
where: short stacking energy: -53.058
Base-Backbone interact. energy: 0.460
local terms energy: -63.400575
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -10.808
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: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -189.375699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.375699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.375699 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -67.715
Base-Backbone interact. energy: 0.060
local terms energy: -67.165480
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -184.270975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.270975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.270975 (E_RNA)
where:
Base-Base interactions energy: -120.133
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.038
local terms energy: -64.099990
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -182.769373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.769373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.769373 (E_RNA)
where:
Base-Base interactions energy: -111.466
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.094
local terms energy: -71.209343
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -97.964575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964575 (E_RNA)
where:
Base-Base interactions energy: -41.755
where: short stacking energy: -41.755
Base-Backbone interact. energy: -0.062
local terms energy: -56.148192
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.041
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: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -95.801180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.801180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.801180 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -30.161
Base-Backbone interact. energy: -0.062
local terms energy: -49.091570
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -5.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -81.327344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.327344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.327344 (E_RNA)
where:
Base-Base interactions energy: -28.729
where: short stacking energy: -28.729
Base-Backbone interact. energy: -0.895
local terms energy: -51.703272
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -238.644408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.644408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.644408 (E_RNA)
where:
Base-Base interactions energy: -162.710
where: short stacking energy: -66.983
Base-Backbone interact. energy: -0.034
local terms energy: -75.900534
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -203.037649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.037649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.037649 (E_RNA)
where:
Base-Base interactions energy: -127.403
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.591
local terms energy: -75.044161
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -186.649410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.649410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.649410 (E_RNA)
where:
Base-Base interactions energy: -114.677
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.091
local terms energy: -71.881191
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -12.034
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: 27
Temperature: 1.050000
Total energy: -184.393778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.393778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.393778 (E_RNA)
where:
Base-Base interactions energy: -121.038
where: short stacking energy: -58.480
Base-Backbone interact. energy: 1.327
local terms energy: -64.681987
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -196.348714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.348714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.348714 (E_RNA)
where:
Base-Base interactions energy: -128.244
where: short stacking energy: -57.017
Base-Backbone interact. energy: -0.230
local terms energy: -67.874296
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -14.349
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: 10
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -182.919930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.919930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.919930 (E_RNA)
where:
Base-Base interactions energy: -109.770
where: short stacking energy: -51.714
Base-Backbone interact. energy: -1.700
local terms energy: -71.450305
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -11.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -172.899385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.899385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.899385 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -47.008
Base-Backbone interact. energy: -0.116
local terms energy: -61.129040
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -9.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -100.815602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.815602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.815602 (E_RNA)
where:
Base-Base interactions energy: -46.442
where: short stacking energy: -36.084
Base-Backbone interact. energy: 0.014
local terms energy: -54.387414
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -96.527077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.527077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.527077 (E_RNA)
where:
Base-Base interactions energy: -44.902
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.023
local terms energy: -51.602295
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -7.057
flat angles P-C4'-P energy: -3.312
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -85.465897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.465897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.465897 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.425
local terms energy: -49.468076
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -11.847
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: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -219.136875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136875 (E_RNA)
where:
Base-Base interactions energy: -147.677
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.384
local terms energy: -71.076689
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -16.215
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: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -203.502804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502804 (E_RNA)
where:
Base-Base interactions energy: -127.251
where: short stacking energy: -66.747
Base-Backbone interact. energy: -0.246
local terms energy: -76.006099
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -201.066115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066115 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -70.956
Base-Backbone interact. energy: -0.020
local terms energy: -70.926784
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -184.251474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.251474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.251474 (E_RNA)
where:
Base-Base interactions energy: -116.157
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.157
local terms energy: -67.937022
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -189.932657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.932657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.932657 (E_RNA)
where:
Base-Base interactions energy: -129.133
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.012
local terms energy: -60.787718
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -177.281606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.281606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.281606 (E_RNA)
where:
Base-Base interactions energy: -121.635
where: short stacking energy: -53.397
Base-Backbone interact. energy: -0.271
local terms energy: -55.376238
where:
bonds (distance) C4'-P energy: -7.463
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -173.854610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.854610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.854610 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.051
local terms energy: -60.733127
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -11.277
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: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -95.054127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054127 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.696
local terms energy: -54.884040
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -86.576469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.576469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.576469 (E_RNA)
where:
Base-Base interactions energy: -40.349
where: short stacking energy: -35.397
Base-Backbone interact. energy: -0.125
local terms energy: -46.102544
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -92.013503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.013503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.013503 (E_RNA)
where:
Base-Base interactions energy: -39.440
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.109
local terms energy: -52.464515
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -234.365776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365776 (E_RNA)
where:
Base-Base interactions energy: -159.458
where: short stacking energy: -71.098
Base-Backbone interact. energy: -0.095
local terms energy: -74.812851
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -212.031273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.031273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.031273 (E_RNA)
where:
Base-Base interactions energy: -139.159
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.013
local terms energy: -72.859169
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -18.225
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: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -205.496973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.496973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.496973 (E_RNA)
where:
Base-Base interactions energy: -130.678
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.240
local terms energy: -74.578719
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -18.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -187.242488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.242488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.242488 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -58.438
Base-Backbone interact. energy: 0.466
local terms energy: -66.507181
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -187.774870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.774870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.774870 (E_RNA)
where:
Base-Base interactions energy: -125.307
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.480
local terms energy: -61.987745
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -13.026
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: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -183.611172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.611172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.611172 (E_RNA)
where:
Base-Base interactions energy: -124.066
where: short stacking energy: -48.586
Base-Backbone interact. energy: -0.925
local terms energy: -58.620845
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -177.476828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.476828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.476828 (E_RNA)
where:
Base-Base interactions energy: -109.163
where: short stacking energy: -45.212
Base-Backbone interact. energy: -0.034
local terms energy: -68.279775
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -87.597706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.597706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.597706 (E_RNA)
where:
Base-Base interactions energy: -37.975
where: short stacking energy: -35.160
Base-Backbone interact. energy: -0.293
local terms energy: -49.329488
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -9.086
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -82.899888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.899888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.899888 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -20.465
Base-Backbone interact. energy: -0.341
local terms energy: -50.073612
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -76.210560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.210560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.210560 (E_RNA)
where:
Base-Base interactions energy: -25.422
where: short stacking energy: -18.935
Base-Backbone interact. energy: -0.116
local terms energy: -50.672533
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -243.187433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.187433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.187433 (E_RNA)
where:
Base-Base interactions energy: -173.278
where: short stacking energy: -66.257
Base-Backbone interact. energy: -0.984
local terms energy: -68.925316
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -209.872727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.872727 (E_RNA)
where:
Base-Base interactions energy: -140.230
where: short stacking energy: -67.086
Base-Backbone interact. energy: -0.011
local terms energy: -69.631807
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -8.428
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: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -197.289441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.289441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.289441 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.529
local terms energy: -72.753012
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -16.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -189.488805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.488805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.488805 (E_RNA)
where:
Base-Base interactions energy: -119.683
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.619
local terms energy: -69.187166
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -193.473358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.473358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.473358 (E_RNA)
where:
Base-Base interactions energy: -121.072
where: short stacking energy: -57.680
Base-Backbone interact. energy: 1.322
local terms energy: -73.723313
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -195.160894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.160894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.160894 (E_RNA)
where:
Base-Base interactions energy: -126.761
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.006
local terms energy: -68.394665
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -178.115279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115279 (E_RNA)
where:
Base-Base interactions energy: -116.572
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.337
local terms energy: -61.206498
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -88.575095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575095 (E_RNA)
where:
Base-Base interactions energy: -34.211
where: short stacking energy: -32.603
Base-Backbone interact. energy: -0.000
local terms energy: -54.363718
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -9.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -95.100773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.100773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.100773 (E_RNA)
where:
Base-Base interactions energy: -57.799
where: short stacking energy: -34.674
Base-Backbone interact. energy: -0.459
local terms energy: -36.842354
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: 0.493
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -75.802807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.802807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.802807 (E_RNA)
where:
Base-Base interactions energy: -31.381
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.108
local terms energy: -44.314245
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -243.076403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.076403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.076403 (E_RNA)
where:
Base-Base interactions energy: -171.570
where: short stacking energy: -69.230
Base-Backbone interact. energy: -0.006
local terms energy: -71.500543
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -199.402938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.402938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.402938 (E_RNA)
where:
Base-Base interactions energy: -126.522
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.204
local terms energy: -72.677160
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.842
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: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -196.425421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.425421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.425421 (E_RNA)
where:
Base-Base interactions energy: -123.873
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.013
local terms energy: -72.539210
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -186.351016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.351016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.351016 (E_RNA)
where:
Base-Base interactions energy: -120.986
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.058
local terms energy: -65.306921
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -15.957
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: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -214.646289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.646289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.646289 (E_RNA)
where:
Base-Base interactions energy: -146.742
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.013
local terms energy: -67.890768
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -172.583533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583533 (E_RNA)
where:
Base-Base interactions energy: -107.036
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.095
local terms energy: -65.452184
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -193.814934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.814934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.814934 (E_RNA)
where:
Base-Base interactions energy: -133.325
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.069
local terms energy: -60.421597
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -14.714
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: 2
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -122.076135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.076135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.076135 (E_RNA)
where:
Base-Base interactions energy: -54.297
where: short stacking energy: -52.396
Base-Backbone interact. energy: -0.003
local terms energy: -67.775411
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -84.364016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364016 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.037
local terms energy: -52.490109
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -91.015059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.015059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.015059 (E_RNA)
where:
Base-Base interactions energy: -39.292
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.087
local terms energy: -51.636584
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -246.559917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.559917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.559917 (E_RNA)
where:
Base-Base interactions energy: -170.309
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.864
local terms energy: -75.387083
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.142
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: 2, replica: 10
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -198.456813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.456813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.456813 (E_RNA)
where:
Base-Base interactions energy: -124.645
where: short stacking energy: -64.992
Base-Backbone interact. energy: -0.025
local terms energy: -73.785944
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -201.649893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649893 (E_RNA)
where:
Base-Base interactions energy: -136.056
where: short stacking energy: -65.163
Base-Backbone interact. energy: -0.003
local terms energy: -65.591010
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -190.690752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690752 (E_RNA)
where:
Base-Base interactions energy: -125.757
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.200
local terms energy: -64.733048
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -15.449
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -175.432068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432068 (E_RNA)
where:
Base-Base interactions energy: -105.645
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.109
local terms energy: -69.678675
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -14.135
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: 32
Temperature: 1.150000
Total energy: -189.306261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.306261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.306261 (E_RNA)
where:
Base-Base interactions energy: -116.182
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.019
local terms energy: -73.105034
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -11.706
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -180.867173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.867173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.867173 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.082
local terms energy: -58.627686
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -14.058
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: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -94.742881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742881 (E_RNA)
where:
Base-Base interactions energy: -42.183
where: short stacking energy: -41.963
Base-Backbone interact. energy: -0.045
local terms energy: -52.515228
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -6.949
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -80.820825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820825 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -17.862
Base-Backbone interact. energy: -0.331
local terms energy: -45.047435
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.508838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508838 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -18.756
Base-Backbone interact. energy: -0.608
local terms energy: -48.706410
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -247.134074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.134074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.134074 (E_RNA)
where:
Base-Base interactions energy: -176.293
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.792
local terms energy: -70.048288
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -15.961
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: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -202.001119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.001119 (E_RNA)
where:
Base-Base interactions energy: -123.117
where: short stacking energy: -71.044
Base-Backbone interact. energy: 0.154
local terms energy: -79.037560
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -193.784110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.784110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.784110 (E_RNA)
where:
Base-Base interactions energy: -125.617
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.041
local terms energy: -68.126376
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -14.129
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: 5
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -194.709729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.709729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.709729 (E_RNA)
where:
Base-Base interactions energy: -124.378
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.003
local terms energy: -70.328606
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -174.698244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.698244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.698244 (E_RNA)
where:
Base-Base interactions energy: -110.049
where: short stacking energy: -51.043
Base-Backbone interact. energy: 0.256
local terms energy: -64.904773
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -8.870
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: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -184.282579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.282579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.282579 (E_RNA)
where:
Base-Base interactions energy: -118.245
where: short stacking energy: -57.826
Base-Backbone interact. energy: 1.873
local terms energy: -67.910436
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -184.345083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.345083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.345083 (E_RNA)
where:
Base-Base interactions energy: -120.767
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.009
local terms energy: -63.568618
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.936
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -90.422008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.422008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.422008 (E_RNA)
where:
Base-Base interactions energy: -36.937
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.009
local terms energy: -53.475429
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -4.903
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -83.698979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698979 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -29.865
Base-Backbone interact. energy: -0.082
local terms energy: -51.358717
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -82.760410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.760410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.760410 (E_RNA)
where:
Base-Base interactions energy: -29.344
where: short stacking energy: -28.593
Base-Backbone interact. energy: -0.201
local terms energy: -53.215422
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -7.011
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: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -244.108679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.108679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.108679 (E_RNA)
where:
Base-Base interactions energy: -175.431
where: short stacking energy: -69.698
Base-Backbone interact. energy: -0.307
local terms energy: -68.370754
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -203.096480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.096480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.096480 (E_RNA)
where:
Base-Base interactions energy: -135.883
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.014
local terms energy: -67.200403
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -10.916
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: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -188.236901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.236901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.236901 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.007
local terms energy: -66.884278
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -191.948298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.948298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.948298 (E_RNA)
where:
Base-Base interactions energy: -123.905
where: short stacking energy: -62.950
Base-Backbone interact. energy: -0.232
local terms energy: -67.811578
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -188.479800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.479800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.479800 (E_RNA)
where:
Base-Base interactions energy: -120.281
where: short stacking energy: -58.886
Base-Backbone interact. energy: 0.509
local terms energy: -68.708717
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -11.786
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -188.555687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.555687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.555687 (E_RNA)
where:
Base-Base interactions energy: -132.185
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.022
local terms energy: -56.349625
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -9.390
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: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -182.561574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.561574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.561574 (E_RNA)
where:
Base-Base interactions energy: -124.932
where: short stacking energy: -51.691
Base-Backbone interact. energy: -0.100
local terms energy: -57.528957
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.260
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: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -89.228446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.228446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.228446 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -35.273
Base-Backbone interact. energy: -0.204
local terms energy: -53.360355
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -3.837
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: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -149.313625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.313625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.313625 (E_RNA)
where:
Base-Base interactions energy: -102.855
where: short stacking energy: -41.503
Base-Backbone interact. energy: 2.033
local terms energy: -48.491751
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -78.996651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.996651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.996651 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.577
local terms energy: -46.616913
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -240.398580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.398580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.398580 (E_RNA)
where:
Base-Base interactions energy: -175.085
where: short stacking energy: -66.017
Base-Backbone interact. energy: 1.848
local terms energy: -67.161736
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -193.629337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.629337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.629337 (E_RNA)
where:
Base-Base interactions energy: -122.413
where: short stacking energy: -53.419
Base-Backbone interact. energy: -0.006
local terms energy: -71.210228
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -10.625
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: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -206.098487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.098487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.098487 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.176
local terms energy: -63.461645
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -190.312510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.312510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312510 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.166
local terms energy: -68.191905
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -12.143
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -186.796424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.796424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.796424 (E_RNA)
where:
Base-Base interactions energy: -120.338
where: short stacking energy: -60.442
Base-Backbone interact. energy: 0.375
local terms energy: -66.833881
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -183.225744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.225744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.225744 (E_RNA)
where:
Base-Base interactions energy: -114.484
where: short stacking energy: -54.698
Base-Backbone interact. energy: -0.453
local terms energy: -68.288693
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -194.758951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.758951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.758951 (E_RNA)
where:
Base-Base interactions energy: -124.707
where: short stacking energy: -66.572
Base-Backbone interact. energy: -0.047
local terms energy: -70.004645
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -13.790
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: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -181.934877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.934877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.934877 (E_RNA)
where:
Base-Base interactions energy: -113.665
where: short stacking energy: -58.598
Base-Backbone interact. energy: -0.666
local terms energy: -67.603997
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.646254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.646254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.646254 (E_RNA)
where:
Base-Base interactions energy: -35.120
where: short stacking energy: -34.540
Base-Backbone interact. energy: -0.104
local terms energy: -50.422648
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -80.066910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.066910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.066910 (E_RNA)
where:
Base-Base interactions energy: -35.386
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.100
local terms energy: -44.580848
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -246.931610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.931610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.931610 (E_RNA)
where:
Base-Base interactions energy: -178.470
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.639
local terms energy: -67.822631
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -206.595400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.595400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.595400 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.046
local terms energy: -77.653340
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -193.193325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.193325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.193325 (E_RNA)
where:
Base-Base interactions energy: -127.789
where: short stacking energy: -46.900
Base-Backbone interact. energy: -0.117
local terms energy: -65.287128
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -188.773355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.773355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.773355 (E_RNA)
where:
Base-Base interactions energy: -127.665
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.551
local terms energy: -60.557666
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -177.229411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.229411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229411 (E_RNA)
where:
Base-Base interactions energy: -114.361
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.290
local terms energy: -62.578473
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -165.254306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.254306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.254306 (E_RNA)
where:
Base-Base interactions energy: -100.217
where: short stacking energy: -51.313
Base-Backbone interact. energy: -0.188
local terms energy: -64.849896
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -177.734503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.734503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.734503 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.096
local terms energy: -63.751105
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -12.590
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: 36
Temperature: 1.250000
Total energy: -167.293797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.293797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.293797 (E_RNA)
where:
Base-Base interactions energy: -110.358
where: short stacking energy: -55.904
Base-Backbone interact. energy: -0.587
local terms energy: -56.349414
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -92.931879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931879 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -39.383
Base-Backbone interact. energy: -0.278
local terms energy: -51.796940
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -2.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -88.008503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.008503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.008503 (E_RNA)
where:
Base-Base interactions energy: -30.499
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.011
local terms energy: -57.498180
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -240.984120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.984120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.984120 (E_RNA)
where:
Base-Base interactions energy: -176.236
where: short stacking energy: -68.264
Base-Backbone interact. energy: -1.304
local terms energy: -63.443948
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -199.826156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.826156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.826156 (E_RNA)
where:
Base-Base interactions energy: -126.524
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.107
local terms energy: -73.194695
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -201.894391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.894391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.894391 (E_RNA)
where:
Base-Base interactions energy: -127.718
where: short stacking energy: -58.140
Base-Backbone interact. energy: 0.757
local terms energy: -74.933628
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -203.646007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.646007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.646007 (E_RNA)
where:
Base-Base interactions energy: -134.653
where: short stacking energy: -54.325
Base-Backbone interact. energy: -0.757
local terms energy: -68.236412
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -179.152140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.152140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.152140 (E_RNA)
where:
Base-Base interactions energy: -109.896
where: short stacking energy: -63.433
Base-Backbone interact. energy: 1.682
local terms energy: -70.938076
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -181.871655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.871655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.871655 (E_RNA)
where:
Base-Base interactions energy: -111.828
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.622
local terms energy: -69.422005
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -184.285606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.285606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.285606 (E_RNA)
where:
Base-Base interactions energy: -121.121
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.021
local terms energy: -63.143639
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -171.872854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.872854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.872854 (E_RNA)
where:
Base-Base interactions energy: -114.298
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.623
local terms energy: -56.951798
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -80.573180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573180 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -31.900
Base-Backbone interact. energy: -0.113
local terms energy: -48.560017
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -93.400588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.400588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.400588 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -40.383
Base-Backbone interact. energy: -0.380
local terms energy: -52.637895
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -252.052759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.052759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.052759 (E_RNA)
where:
Base-Base interactions energy: -181.708
where: short stacking energy: -69.760
Base-Backbone interact. energy: -0.150
local terms energy: -70.194548
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -217.829189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.829189 (E_RNA)
where:
Base-Base interactions energy: -143.071
where: short stacking energy: -62.350
Base-Backbone interact. energy: -0.315
local terms energy: -74.442848
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -17.783
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -203.442233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.442233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.442233 (E_RNA)
where:
Base-Base interactions energy: -124.719
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.011
local terms energy: -78.711587
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -13.704
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: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -187.423993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.423993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.423993 (E_RNA)
where:
Base-Base interactions energy: -120.831
where: short stacking energy: -55.802
Base-Backbone interact. energy: -0.050
local terms energy: -66.542898
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -12.584
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: 3
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -195.701704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.701704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.701704 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -56.546
Base-Backbone interact. energy: 0.609
local terms energy: -73.076599
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -179.924615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.924615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.924615 (E_RNA)
where:
Base-Base interactions energy: -112.782
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.520
local terms energy: -66.622848
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -174.451111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.451111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.451111 (E_RNA)
where:
Base-Base interactions energy: -113.455
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.001
local terms energy: -60.995916
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -161.951958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.951958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.951958 (E_RNA)
where:
Base-Base interactions energy: -101.890
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.204
local terms energy: -59.858339
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -90.204072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204072 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.329
local terms energy: -49.943090
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -2.447
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -89.565644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.565644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.565644 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -40.285
Base-Backbone interact. energy: 0.970
local terms energy: -50.250887
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -9.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -241.772676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772676 (E_RNA)
where:
Base-Base interactions energy: -170.878
where: short stacking energy: -55.085
Base-Backbone interact. energy: -1.092
local terms energy: -69.802783
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -205.647421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.647421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.647421 (E_RNA)
where:
Base-Base interactions energy: -129.874
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.562
local terms energy: -75.211173
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -16.428
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -205.238281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.238281 (E_RNA)
where:
Base-Base interactions energy: -138.401
where: short stacking energy: -61.979
Base-Backbone interact. energy: -0.889
local terms energy: -65.947624
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -192.233955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.233955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.233955 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -62.760
Base-Backbone interact. energy: 0.069
local terms energy: -71.234571
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -14.788
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: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -180.576613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.576613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.576613 (E_RNA)
where:
Base-Base interactions energy: -121.216
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.776
local terms energy: -58.584370
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -177.044814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.044814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044814 (E_RNA)
where:
Base-Base interactions energy: -112.097
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.070
local terms energy: -64.878655
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -171.697116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.697116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.697116 (E_RNA)
where:
Base-Base interactions energy: -113.174
where: short stacking energy: -52.836
Base-Backbone interact. energy: 0.424
local terms energy: -58.946406
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -1.218
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -163.296944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.296944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.296944 (E_RNA)
where:
Base-Base interactions energy: -103.252
where: short stacking energy: -43.189
Base-Backbone interact. energy: -0.200
local terms energy: -59.845123
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -87.789267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.789267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.789267 (E_RNA)
where:
Base-Base interactions energy: -34.382
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.814
local terms energy: -52.593467
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -84.247080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.247080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.247080 (E_RNA)
where:
Base-Base interactions energy: -33.301
where: short stacking energy: -33.301
Base-Backbone interact. energy: 0.649
local terms energy: -51.595210
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -244.263254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.263254 (E_RNA)
where:
Base-Base interactions energy: -177.572
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.187
local terms energy: -66.503712
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.912
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: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -201.920558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.920558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.920558 (E_RNA)
where:
Base-Base interactions energy: -133.139
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.224
local terms energy: -68.557699
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -191.643230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.643230 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.072
local terms energy: -68.128875
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -199.273761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.273761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.273761 (E_RNA)
where:
Base-Base interactions energy: -129.598
where: short stacking energy: -70.371
Base-Backbone interact. energy: -0.263
local terms energy: -69.412248
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -17.982
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: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -181.250893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.250893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.250893 (E_RNA)
where:
Base-Base interactions energy: -108.971
where: short stacking energy: -48.421
Base-Backbone interact. energy: -0.895
local terms energy: -71.384925
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -182.947278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947278 (E_RNA)
where:
Base-Base interactions energy: -118.862
where: short stacking energy: -44.234
Base-Backbone interact. energy: -0.206
local terms energy: -63.880146
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -159.894820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.894820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.894820 (E_RNA)
where:
Base-Base interactions energy: -99.592
where: short stacking energy: -51.750
Base-Backbone interact. energy: 2.459
local terms energy: -62.761845
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -178.285718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.285718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.285718 (E_RNA)
where:
Base-Base interactions energy: -113.663
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.514
local terms energy: -64.108432
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.953
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: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.560143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.560143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.560143 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -32.217
Base-Backbone interact. energy: -0.202
local terms energy: -38.243251
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -6.211
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -118.118896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.118896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.118896 (E_RNA)
where:
Base-Base interactions energy: -61.386
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.032
local terms energy: -56.701514
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -8.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -244.619217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.619217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.619217 (E_RNA)
where:
Base-Base interactions energy: -172.242
where: short stacking energy: -72.069
Base-Backbone interact. energy: -0.171
local terms energy: -72.205978
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -205.608137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.608137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.608137 (E_RNA)
where:
Base-Base interactions energy: -134.239
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.033
local terms energy: -71.335986
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -191.731860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.731860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.731860 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.115
local terms energy: -70.432836
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -15.380
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: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -208.899591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.899591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.899591 (E_RNA)
where:
Base-Base interactions energy: -140.745
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.435
local terms energy: -67.719388
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -189.610885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.610885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.610885 (E_RNA)
where:
Base-Base interactions energy: -123.665
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.038
local terms energy: -65.907916
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -174.471074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.471074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.471074 (E_RNA)
where:
Base-Base interactions energy: -109.248
where: short stacking energy: -60.159
Base-Backbone interact. energy: 0.261
local terms energy: -65.483997
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -180.779820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.779820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.779820 (E_RNA)
where:
Base-Base interactions energy: -119.020
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.583
local terms energy: -61.177118
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -181.006192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.006192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.006192 (E_RNA)
where:
Base-Base interactions energy: -117.296
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.002
local terms energy: -63.707962
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -12.961
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: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -99.594996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.594996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.594996 (E_RNA)
where:
Base-Base interactions energy: -50.000
where: short stacking energy: -39.591
Base-Backbone interact. energy: -0.090
local terms energy: -49.504261
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -95.016105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.016105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.016105 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -30.283
Base-Backbone interact. energy: 0.312
local terms energy: -53.425066
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -238.469170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.469170 (E_RNA)
where:
Base-Base interactions energy: -160.415
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.778
local terms energy: -77.276007
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -198.484930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.484930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.484930 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -68.173
Base-Backbone interact. energy: 1.040
local terms energy: -72.504098
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -227.790555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.790555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.790555 (E_RNA)
where:
Base-Base interactions energy: -158.032
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.376
local terms energy: -69.382382
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -185.116419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116419 (E_RNA)
where:
Base-Base interactions energy: -117.257
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.187
local terms energy: -67.672969
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -183.495443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.495443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.495443 (E_RNA)
where:
Base-Base interactions energy: -111.879
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.001
local terms energy: -71.614668
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -12.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -204.195713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.195713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.195713 (E_RNA)
where:
Base-Base interactions energy: -130.229
where: short stacking energy: -68.556
Base-Backbone interact. energy: -0.026
local terms energy: -73.940957
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -176.638380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.638380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638380 (E_RNA)
where:
Base-Base interactions energy: -109.598
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.552
local terms energy: -66.487886
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -171.699317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699317 (E_RNA)
where:
Base-Base interactions energy: -100.950
where: short stacking energy: -53.664
Base-Backbone interact. energy: -0.076
local terms energy: -70.673230
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -88.586469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.586469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.586469 (E_RNA)
where:
Base-Base interactions energy: -36.309
where: short stacking energy: -30.454
Base-Backbone interact. energy: -0.055
local terms energy: -52.222358
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -94.940461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.940461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.940461 (E_RNA)
where:
Base-Base interactions energy: -46.919
where: short stacking energy: -27.641
Base-Backbone interact. energy: -0.666
local terms energy: -47.355448
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -4.629
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: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -239.416807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.416807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.416807 (E_RNA)
where:
Base-Base interactions energy: -161.336
where: short stacking energy: -69.888
Base-Backbone interact. energy: -0.173
local terms energy: -77.908054
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -17.712
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: 43
Temperature: 0.950000
Total energy: -232.956354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.956354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.956354 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -69.942
Base-Backbone interact. energy: -0.189
local terms energy: -74.024136
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -17.877
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: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -193.689048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.689048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.689048 (E_RNA)
where:
Base-Base interactions energy: -121.290
where: short stacking energy: -57.586
Base-Backbone interact. energy: 0.106
local terms energy: -72.504578
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -191.476881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.476881 (E_RNA)
where:
Base-Base interactions energy: -121.272
where: short stacking energy: -66.754
Base-Backbone interact. energy: -0.007
local terms energy: -70.198387
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -180.469020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.469020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.469020 (E_RNA)
where:
Base-Base interactions energy: -111.118
where: short stacking energy: -55.148
Base-Backbone interact. energy: -0.033
local terms energy: -69.318220
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -173.163288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.163288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.163288 (E_RNA)
where:
Base-Base interactions energy: -112.448
where: short stacking energy: -49.809
Base-Backbone interact. energy: -0.154
local terms energy: -60.561101
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -193.465928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.465928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.465928 (E_RNA)
where:
Base-Base interactions energy: -125.331
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.022
local terms energy: -68.112831
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -16.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -160.700437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.700437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.700437 (E_RNA)
where:
Base-Base interactions energy: -106.017
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.819
local terms energy: -53.864081
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -89.225386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225386 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -32.309
Base-Backbone interact. energy: -0.105
local terms energy: -46.516215
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -107.314099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.314099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.314099 (E_RNA)
where:
Base-Base interactions energy: -46.562
where: short stacking energy: -41.365
Base-Backbone interact. energy: -0.103
local terms energy: -60.648578
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -242.157005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.157005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.157005 (E_RNA)
where:
Base-Base interactions energy: -173.302
where: short stacking energy: -72.842
Base-Backbone interact. energy: -0.905
local terms energy: -67.949801
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -234.441233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.441233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.441233 (E_RNA)
where:
Base-Base interactions energy: -161.447
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.460
local terms energy: -72.534420
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -194.080832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.080832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.080832 (E_RNA)
where:
Base-Base interactions energy: -126.017
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.716
local terms energy: -67.347092
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -16.018
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -187.667063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.667063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.667063 (E_RNA)
where:
Base-Base interactions energy: -118.176
where: short stacking energy: -61.465
Base-Backbone interact. energy: -0.058
local terms energy: -69.433012
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -13.385
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: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -188.966940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.966940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.966940 (E_RNA)
where:
Base-Base interactions energy: -127.403
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.241
local terms energy: -61.322844
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -174.607879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.607879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.607879 (E_RNA)
where:
Base-Base interactions energy: -112.624
where: short stacking energy: -59.270
Base-Backbone interact. energy: -0.086
local terms energy: -61.897531
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -169.093104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.093104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.093104 (E_RNA)
where:
Base-Base interactions energy: -103.846
where: short stacking energy: -52.324
Base-Backbone interact. energy: -0.009
local terms energy: -65.238267
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -13.386
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: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -155.154311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.154311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.154311 (E_RNA)
where:
Base-Base interactions energy: -100.021
where: short stacking energy: -38.487
Base-Backbone interact. energy: -0.006
local terms energy: -55.127243
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -4.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -93.267342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267342 (E_RNA)
where:
Base-Base interactions energy: -38.872
where: short stacking energy: -34.055
Base-Backbone interact. energy: -0.262
local terms energy: -54.134073
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -79.155735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.155735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.155735 (E_RNA)
where:
Base-Base interactions energy: -26.997
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.303
local terms energy: -51.855847
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -234.368886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.368886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.368886 (E_RNA)
where:
Base-Base interactions energy: -161.691
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.488
local terms energy: -72.189973
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -15.902
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -231.830262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.830262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.830262 (E_RNA)
where:
Base-Base interactions energy: -160.506
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.645
local terms energy: -70.679608
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -7.436
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: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -196.388254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.388254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.388254 (E_RNA)
where:
Base-Base interactions energy: -121.611
where: short stacking energy: -62.287
Base-Backbone interact. energy: -0.328
local terms energy: -74.449252
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -18.559
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: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -205.812916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.812916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.812916 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -68.429
Base-Backbone interact. energy: 1.719
local terms energy: -71.486026
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -183.620933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.620933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.620933 (E_RNA)
where:
Base-Base interactions energy: -119.196
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.169
local terms energy: -64.255483
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -188.145044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.145044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.145044 (E_RNA)
where:
Base-Base interactions energy: -116.569
where: short stacking energy: -63.912
Base-Backbone interact. energy: 0.811
local terms energy: -72.386864
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -164.137620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.137620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.137620 (E_RNA)
where:
Base-Base interactions energy: -105.658
where: short stacking energy: -48.312
Base-Backbone interact. energy: -0.201
local terms energy: -58.278360
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -10.337
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: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -105.320014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.320014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.320014 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -38.948
Base-Backbone interact. energy: -0.170
local terms energy: -61.495866
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -164.615818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.615818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.615818 (E_RNA)
where:
Base-Base interactions energy: -107.243
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.017
local terms energy: -57.355498
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -8.392
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -85.228457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228457 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.079
local terms energy: -52.539712
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -236.093124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.093124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.093124 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -74.013
Base-Backbone interact. energy: -1.973
local terms energy: -75.221183
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -241.243236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.243236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.243236 (E_RNA)
where:
Base-Base interactions energy: -165.178
where: short stacking energy: -69.957
Base-Backbone interact. energy: -0.798
local terms energy: -75.267367
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.026
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: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -199.097532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.097532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.097532 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -65.952
Base-Backbone interact. energy: -1.071
local terms energy: -73.342028
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -198.643551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.643551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.643551 (E_RNA)
where:
Base-Base interactions energy: -122.794
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.783
local terms energy: -75.067082
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -184.492879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.492879 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -55.391
Base-Backbone interact. energy: 1.211
local terms energy: -69.508510
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -13.309
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -175.264362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.264362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.264362 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -55.493
Base-Backbone interact. energy: -0.293
local terms energy: -56.707663
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -157.375670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.375670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.375670 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -48.989
Base-Backbone interact. energy: -0.183
local terms energy: -50.445226
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -11.811
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -99.787226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.787226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.787226 (E_RNA)
where:
Base-Base interactions energy: -44.051
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.099
local terms energy: -55.636550
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -11.461
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: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -157.826965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.826965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.826965 (E_RNA)
where:
Base-Base interactions energy: -91.693
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.176
local terms energy: -65.957674
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -10.524
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: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -93.659846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.659846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.659846 (E_RNA)
where:
Base-Base interactions energy: -43.150
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.138
local terms energy: -50.371909
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -234.718534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.718534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.718534 (E_RNA)
where:
Base-Base interactions energy: -167.789
where: short stacking energy: -67.510
Base-Backbone interact. energy: -0.170
local terms energy: -66.759370
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -16.142
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: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -208.463688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.463688 (E_RNA)
where:
Base-Base interactions energy: -135.146
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.705
local terms energy: -72.612609
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -221.395055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.395055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.395055 (E_RNA)
where:
Base-Base interactions energy: -159.909
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.306
local terms energy: -61.180468
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -195.312622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312622 (E_RNA)
where:
Base-Base interactions energy: -127.821
where: short stacking energy: -72.683
Base-Backbone interact. energy: 0.065
local terms energy: -67.556488
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -19.740
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -186.498802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.498802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.498802 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.641
local terms energy: -68.960808
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -182.948398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.948398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.948398 (E_RNA)
where:
Base-Base interactions energy: -113.847
where: short stacking energy: -63.631
Base-Backbone interact. energy: 0.082
local terms energy: -69.183767
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -177.229377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.229377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.229377 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.268
local terms energy: -62.686667
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -161.918816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.918816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.918816 (E_RNA)
where:
Base-Base interactions energy: -99.457
where: short stacking energy: -50.385
Base-Backbone interact. energy: -0.039
local terms energy: -62.422430
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -11.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -83.296283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296283 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -34.410
Base-Backbone interact. energy: -1.352
local terms energy: -47.533489
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -3.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -81.229820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229820 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.139
local terms energy: -46.112005
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.597
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: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -221.241048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.241048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.241048 (E_RNA)
where:
Base-Base interactions energy: -140.506
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.022
local terms energy: -80.713563
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -218.302834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.302834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.302834 (E_RNA)
where:
Base-Base interactions energy: -147.449
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.581
local terms energy: -70.272715
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -218.507825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.507825 (E_RNA)
where:
Base-Base interactions energy: -154.541
where: short stacking energy: -67.638
Base-Backbone interact. energy: 0.608
local terms energy: -64.575431
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -190.572512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.572512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.572512 (E_RNA)
where:
Base-Base interactions energy: -122.774
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.043
local terms energy: -67.754979
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -171.711604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.711604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.711604 (E_RNA)
where:
Base-Base interactions energy: -108.782
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.364
local terms energy: -62.565537
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -167.738375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.738375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.738375 (E_RNA)
where:
Base-Base interactions energy: -109.728
where: short stacking energy: -47.806
Base-Backbone interact. energy: -0.330
local terms energy: -57.680243
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -181.678993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.678993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.678993 (E_RNA)
where:
Base-Base interactions energy: -129.698
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.068
local terms energy: -51.912991
where:
bonds (distance) C4'-P energy: -5.538
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -12.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -166.456039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.456039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.456039 (E_RNA)
where:
Base-Base interactions energy: -104.133
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.073
local terms energy: -62.250132
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -7.821
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -11.052
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: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.698076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698076 (E_RNA)
where:
Base-Base interactions energy: -38.415
where: short stacking energy: -26.004
Base-Backbone interact. energy: -0.217
local terms energy: -52.066105
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -89.431219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.431219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.431219 (E_RNA)
where:
Base-Base interactions energy: -49.119
where: short stacking energy: -33.309
Base-Backbone interact. energy: 0.306
local terms energy: -40.618149
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -217.406472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.406472 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -72.065
Base-Backbone interact. energy: -0.002
local terms energy: -76.151358
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -21.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -220.532517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.532517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.532517 (E_RNA)
where:
Base-Base interactions energy: -155.674
where: short stacking energy: -65.941
Base-Backbone interact. energy: -0.096
local terms energy: -64.762371
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -228.961586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.961586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.961586 (E_RNA)
where:
Base-Base interactions energy: -157.904
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.663
local terms energy: -70.394439
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -187.040425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.040425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.040425 (E_RNA)
where:
Base-Base interactions energy: -112.258
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.294
local terms energy: -74.489270
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -182.112662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.112662 (E_RNA)
where:
Base-Base interactions energy: -115.110
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.098
local terms energy: -66.904993
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -9.196
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -184.969307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.969307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.969307 (E_RNA)
where:
Base-Base interactions energy: -110.170
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.045
local terms energy: -74.754078
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -183.492626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.492626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.492626 (E_RNA)
where:
Base-Base interactions energy: -122.505
where: short stacking energy: -60.556
Base-Backbone interact. energy: -0.111
local terms energy: -60.876472
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -12.571
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: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -102.758219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.758219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.758219 (E_RNA)
where:
Base-Base interactions energy: -49.396
where: short stacking energy: -34.087
Base-Backbone interact. energy: 1.792
local terms energy: -55.154122
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.164
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: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -170.689396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.689396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.689396 (E_RNA)
where:
Base-Base interactions energy: -107.531
where: short stacking energy: -42.872
Base-Backbone interact. energy: -0.744
local terms energy: -62.414465
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -90.240557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240557 (E_RNA)
where:
Base-Base interactions energy: -29.635
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.283
local terms energy: -60.322202
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -244.314459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.314459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.314459 (E_RNA)
where:
Base-Base interactions energy: -171.251
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.795
local terms energy: -72.269334
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -216.828017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.828017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828017 (E_RNA)
where:
Base-Base interactions energy: -141.814
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.034
local terms energy: -74.980197
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -217.288455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.288455 (E_RNA)
where:
Base-Base interactions energy: -149.719
where: short stacking energy: -61.814
Base-Backbone interact. energy: -1.070
local terms energy: -66.499880
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.742
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: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -201.323281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.323281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.323281 (E_RNA)
where:
Base-Base interactions energy: -135.891
where: short stacking energy: -63.000
Base-Backbone interact. energy: -0.042
local terms energy: -65.390126
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -186.926029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.926029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.926029 (E_RNA)
where:
Base-Base interactions energy: -122.414
where: short stacking energy: -59.645
Base-Backbone interact. energy: -0.183
local terms energy: -64.328800
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -173.707925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.707925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.707925 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -41.771
Base-Backbone interact. energy: -0.058
local terms energy: -62.138046
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -169.560749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.560749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.560749 (E_RNA)
where:
Base-Base interactions energy: -106.564
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.127
local terms energy: -62.869450
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.122
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -97.606851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.606851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.606851 (E_RNA)
where:
Base-Base interactions energy: -49.713
where: short stacking energy: -34.971
Base-Backbone interact. energy: -0.551
local terms energy: -47.342704
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -8.717
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: 9, replica: 3
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -172.312920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.312920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.312920 (E_RNA)
where:
Base-Base interactions energy: -114.187
where: short stacking energy: -66.724
Base-Backbone interact. energy: 0.174
local terms energy: -58.299702
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -7.570
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -79.698439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.698439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.698439 (E_RNA)
where:
Base-Base interactions energy: -29.477
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.051
local terms energy: -50.170815
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -1.789
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: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -239.001274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.001274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.001274 (E_RNA)
where:
Base-Base interactions energy: -169.672
where: short stacking energy: -69.399
Base-Backbone interact. energy: 0.038
local terms energy: -69.367019
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -207.090401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.090401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.090401 (E_RNA)
where:
Base-Base interactions energy: -129.557
where: short stacking energy: -71.984
Base-Backbone interact. energy: -0.011
local terms energy: -77.522115
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -195.511642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.511642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.511642 (E_RNA)
where:
Base-Base interactions energy: -129.229
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.011
local terms energy: -66.272232
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -11.434
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: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -194.563874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.563874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.563874 (E_RNA)
where:
Base-Base interactions energy: -124.551
where: short stacking energy: -70.766
Base-Backbone interact. energy: -0.254
local terms energy: -69.759015
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -191.074578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.074578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.074578 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.003
local terms energy: -63.114175
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -190.031191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.031191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.031191 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -49.065
Base-Backbone interact. energy: -1.077
local terms energy: -65.939379
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -173.167827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.167827 (E_RNA)
where:
Base-Base interactions energy: -115.999
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.983
local terms energy: -56.185943
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -9.108
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: 51
Temperature: 1.250000
Total energy: -173.007266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007266 (E_RNA)
where:
Base-Base interactions energy: -110.796
where: short stacking energy: -53.396
Base-Backbone interact. energy: -0.020
local terms energy: -62.192032
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -89.230813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.230813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.230813 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.321
local terms energy: -56.393657
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -1.383
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: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.916399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.916399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.916399 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -31.092
Base-Backbone interact. energy: 1.737
local terms energy: -46.552796
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -242.028028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.028028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.028028 (E_RNA)
where:
Base-Base interactions energy: -172.300
where: short stacking energy: -74.763
Base-Backbone interact. energy: -0.231
local terms energy: -69.497164
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -204.212667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.212667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212667 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.123
local terms energy: -71.743409
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -199.976125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.976125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.976125 (E_RNA)
where:
Base-Base interactions energy: -126.902
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.357
local terms energy: -72.716991
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -188.705710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.705710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.705710 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -59.141
Base-Backbone interact. energy: -2.388
local terms energy: -60.824462
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -187.746145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.746145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.746145 (E_RNA)
where:
Base-Base interactions energy: -121.241
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.190
local terms energy: -66.314947
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -187.782471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.782471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.782471 (E_RNA)
where:
Base-Base interactions energy: -129.561
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.296
local terms energy: -57.924733
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -170.084886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.084886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.084886 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.071
local terms energy: -59.736494
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -174.510340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.510340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.510340 (E_RNA)
where:
Base-Base interactions energy: -112.278
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.162
local terms energy: -62.070047
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -83.214449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.214449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.214449 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -29.231
Base-Backbone interact. energy: 0.570
local terms energy: -54.401249
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -73.627294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.627294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.627294 (E_RNA)
where:
Base-Base interactions energy: -24.160
where: short stacking energy: -23.692
Base-Backbone interact. energy: 0.109
local terms energy: -49.576293
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -237.419192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.419192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.419192 (E_RNA)
where:
Base-Base interactions energy: -171.445
where: short stacking energy: -66.184
Base-Backbone interact. energy: 0.031
local terms energy: -66.005236
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -13.021
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: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -196.260805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.260805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.260805 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.579
local terms energy: -67.044828
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.322
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: 3, replica: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -200.442423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.442423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442423 (E_RNA)
where:
Base-Base interactions energy: -136.522
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.003
local terms energy: -63.917489
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -183.722186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.722186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.722186 (E_RNA)
where:
Base-Base interactions energy: -115.078
where: short stacking energy: -61.834
Base-Backbone interact. energy: 0.957
local terms energy: -69.601021
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -182.731122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.731122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.731122 (E_RNA)
where:
Base-Base interactions energy: -130.001
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.475
local terms energy: -52.254256
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -163.882385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.882385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.882385 (E_RNA)
where:
Base-Base interactions energy: -108.505
where: short stacking energy: -52.928
Base-Backbone interact. energy: -0.124
local terms energy: -55.253380
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -7.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -197.872974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.872974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.872974 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.955
local terms energy: -74.468543
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -18.419
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: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -153.024015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.024015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.024015 (E_RNA)
where:
Base-Base interactions energy: -99.572
where: short stacking energy: -48.809
Base-Backbone interact. energy: -0.803
local terms energy: -52.649713
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -128.740114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.740114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.740114 (E_RNA)
where:
Base-Base interactions energy: -84.976
where: short stacking energy: -32.485
Base-Backbone interact. energy: -0.480
local terms energy: -43.283997
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -82.876944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876944 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.153
local terms energy: -48.101512
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -201.562466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.562466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.562466 (E_RNA)
where:
Base-Base interactions energy: -132.570
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.175
local terms energy: -68.817645
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -233.097620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.097620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.097620 (E_RNA)
where:
Base-Base interactions energy: -171.385
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.446
local terms energy: -61.266871
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -12.613
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: 54
Temperature: 1.000000
Total energy: -211.758989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.758989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.758989 (E_RNA)
where:
Base-Base interactions energy: -146.901
where: short stacking energy: -73.775
Base-Backbone interact. energy: 2.965
local terms energy: -67.822780
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -14.748
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: 54
Temperature: 1.050000
Total energy: -192.845457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.845457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.845457 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.248
local terms energy: -71.310272
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -193.490128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.490128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.490128 (E_RNA)
where:
Base-Base interactions energy: -130.048
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.137
local terms energy: -63.305208
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -176.694535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.694535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.694535 (E_RNA)
where:
Base-Base interactions energy: -117.439
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.071
local terms energy: -59.184865
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -11.592
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: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -173.995223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.995223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.995223 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -59.206
Base-Backbone interact. energy: -0.031
local terms energy: -61.387756
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -13.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -174.353515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.353515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.353515 (E_RNA)
where:
Base-Base interactions energy: -105.403
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.164
local terms energy: -68.785592
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -151.716145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.716145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.716145 (E_RNA)
where:
Base-Base interactions energy: -98.315
where: short stacking energy: -49.741
Base-Backbone interact. energy: -0.413
local terms energy: -52.988140
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -82.901393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.901393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.901393 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -28.609
Base-Backbone interact. energy: -0.087
local terms energy: -47.805770
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -5.856
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -9.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -204.370247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370247 (E_RNA)
where:
Base-Base interactions energy: -135.227
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.197
local terms energy: -68.946290
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -231.325401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.325401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.325401 (E_RNA)
where:
Base-Base interactions energy: -166.460
where: short stacking energy: -58.892
Base-Backbone interact. energy: 0.472
local terms energy: -65.337173
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -210.079941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.079941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.079941 (E_RNA)
where:
Base-Base interactions energy: -144.420
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.021
local terms energy: -65.638561
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -10.051
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: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -184.039386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.039386 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.152
local terms energy: -69.887156
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -184.979645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.979645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.979645 (E_RNA)
where:
Base-Base interactions energy: -119.047
where: short stacking energy: -62.192
Base-Backbone interact. energy: 1.776
local terms energy: -67.708594
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -180.710394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.710394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.710394 (E_RNA)
where:
Base-Base interactions energy: -118.266
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.004
local terms energy: -62.439977
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -6.988
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: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -163.833282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.833282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.833282 (E_RNA)
where:
Base-Base interactions energy: -106.203
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.015
local terms energy: -57.614952
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -12.164
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -171.937733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.937733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.937733 (E_RNA)
where:
Base-Base interactions energy: -116.832
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.433
local terms energy: -54.671921
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -8.260
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -170.305593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.305593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.305593 (E_RNA)
where:
Base-Base interactions energy: -105.218
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.004
local terms energy: -65.083315
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -13.470
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: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -68.780320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.780320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.780320 (E_RNA)
where:
Base-Base interactions energy: -28.322
where: short stacking energy: -17.200
Base-Backbone interact. energy: -0.017
local terms energy: -40.441305
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -8.011
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: -0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -234.767326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.767326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.767326 (E_RNA)
where:
Base-Base interactions energy: -165.609
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.453
local terms energy: -68.705119
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.070
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: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -206.630482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.630482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630482 (E_RNA)
where:
Base-Base interactions energy: -135.498
where: short stacking energy: -68.115
Base-Backbone interact. energy: -0.399
local terms energy: -70.733420
where:
bonds (distance) C4'-P energy: -7.271
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -194.774154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.774154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.774154 (E_RNA)
where:
Base-Base interactions energy: -127.541
where: short stacking energy: -70.210
Base-Backbone interact. energy: -1.074
local terms energy: -66.158609
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -194.862417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.862417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.862417 (E_RNA)
where:
Base-Base interactions energy: -123.225
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.105
local terms energy: -71.532541
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -188.823493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.823493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.823493 (E_RNA)
where:
Base-Base interactions energy: -122.322
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.021
local terms energy: -66.480681
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -181.380172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.380172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.380172 (E_RNA)
where:
Base-Base interactions energy: -114.753
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.104
local terms energy: -66.523319
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -174.102953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.102953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.102953 (E_RNA)
where:
Base-Base interactions energy: -114.030
where: short stacking energy: -44.879
Base-Backbone interact. energy: -0.522
local terms energy: -59.550275
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -161.768939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.768939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.768939 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -51.676
Base-Backbone interact. energy: 0.590
local terms energy: -58.779032
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -14.211
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -79.912272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.912272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.912272 (E_RNA)
where:
Base-Base interactions energy: -33.255
where: short stacking energy: -32.703
Base-Backbone interact. energy: 0.165
local terms energy: -46.821687
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -5.472
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: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -155.273328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.273328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.273328 (E_RNA)
where:
Base-Base interactions energy: -104.542
where: short stacking energy: -43.744
Base-Backbone interact. energy: 2.419
local terms energy: -53.149516
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -8.467
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -239.555839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.555839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.555839 (E_RNA)
where:
Base-Base interactions energy: -164.303
where: short stacking energy: -60.393
Base-Backbone interact. energy: -0.640
local terms energy: -74.612985
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -192.129708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.129708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.129708 (E_RNA)
where:
Base-Base interactions energy: -122.056
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.448
local terms energy: -69.626181
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -196.693849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.693849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.693849 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.000
local terms energy: -68.402392
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -204.700316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.700316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.700316 (E_RNA)
where:
Base-Base interactions energy: -133.769
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.005
local terms energy: -70.926113
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.627
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: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -171.329315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.329315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.329315 (E_RNA)
where:
Base-Base interactions energy: -109.947
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.793
local terms energy: -60.589459
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -13.335
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: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -167.315617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.315617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.315617 (E_RNA)
where:
Base-Base interactions energy: -99.725
where: short stacking energy: -44.838
Base-Backbone interact. energy: -0.162
local terms energy: -67.428058
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -178.443248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.443248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.443248 (E_RNA)
where:
Base-Base interactions energy: -107.955
where: short stacking energy: -49.573
Base-Backbone interact. energy: -0.111
local terms energy: -70.377542
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -10.971
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -167.355069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.355069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.355069 (E_RNA)
where:
Base-Base interactions energy: -108.438
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.130
local terms energy: -58.786682
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -8.394
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -118.027846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.027846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.027846 (E_RNA)
where:
Base-Base interactions energy: -54.347
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.157
local terms energy: -63.523887
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -152.745289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.745289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.745289 (E_RNA)
where:
Base-Base interactions energy: -100.259
where: short stacking energy: -48.630
Base-Backbone interact. energy: 1.082
local terms energy: -53.568194
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -244.444915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.444915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.444915 (E_RNA)
where:
Base-Base interactions energy: -170.164
where: short stacking energy: -67.233
Base-Backbone interact. energy: 0.343
local terms energy: -74.624459
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.914
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: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -192.063219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.063219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.063219 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.053
local terms energy: -68.284697
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -204.056337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.056337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.056337 (E_RNA)
where:
Base-Base interactions energy: -136.616
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.004
local terms energy: -67.437102
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -196.404213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404213 (E_RNA)
where:
Base-Base interactions energy: -123.649
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.004
local terms energy: -72.751594
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.775
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: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -172.995087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.995087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.995087 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.028
local terms energy: -56.556594
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -180.262316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.262316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.262316 (E_RNA)
where:
Base-Base interactions energy: -113.527
where: short stacking energy: -58.420
Base-Backbone interact. energy: -0.782
local terms energy: -65.953250
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -181.570977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.570977 (E_RNA)
where:
Base-Base interactions energy: -120.531
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.005
local terms energy: -61.035556
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -174.487786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.487786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.487786 (E_RNA)
where:
Base-Base interactions energy: -114.329
where: short stacking energy: -58.624
Base-Backbone interact. energy: -1.182
local terms energy: -58.976869
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -162.544429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.544429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.544429 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.004
local terms energy: -57.661927
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -11.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -84.423624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.423624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.423624 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.191
local terms energy: -51.396916
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -0.392
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: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -236.840203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.840203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.840203 (E_RNA)
where:
Base-Base interactions energy: -169.240
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.305
local terms energy: -67.295635
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -202.929621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.929621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.929621 (E_RNA)
where:
Base-Base interactions energy: -137.816
where: short stacking energy: -60.291
Base-Backbone interact. energy: -0.073
local terms energy: -65.041096
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -5.949
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: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -190.944989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944989 (E_RNA)
where:
Base-Base interactions energy: -122.643
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.105
local terms energy: -68.197571
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -175.356845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.356845 (E_RNA)
where:
Base-Base interactions energy: -113.592
where: short stacking energy: -52.108
Base-Backbone interact. energy: -0.239
local terms energy: -61.526026
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -195.086489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.086489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.086489 (E_RNA)
where:
Base-Base interactions energy: -132.582
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.048
local terms energy: -62.456751
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -195.861029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.861029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.861029 (E_RNA)
where:
Base-Base interactions energy: -131.557
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.022
local terms energy: -64.282501
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -11.234
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: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -176.817445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.817445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.817445 (E_RNA)
where:
Base-Base interactions energy: -108.713
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.023
local terms energy: -68.081580
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -162.837777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.837777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.837777 (E_RNA)
where:
Base-Base interactions energy: -108.021
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.039
local terms energy: -54.778207
where:
bonds (distance) C4'-P energy: -5.097
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -180.455591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455591 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.104
local terms energy: -58.413878
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -11.686
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -91.420498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.420498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.420498 (E_RNA)
where:
Base-Base interactions energy: -41.409
where: short stacking energy: -31.961
Base-Backbone interact. energy: -0.610
local terms energy: -49.401639
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -230.898535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.898535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.898535 (E_RNA)
where:
Base-Base interactions energy: -166.506
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.210
local terms energy: -64.181916
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -206.169892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169892 (E_RNA)
where:
Base-Base interactions energy: -139.643
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.001
local terms energy: -66.526568
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -210.964436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.964436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.964436 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.405
local terms energy: -71.919865
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.011
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: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -185.165506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.165506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.165506 (E_RNA)
where:
Base-Base interactions energy: -123.461
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.362
local terms energy: -61.342470
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -10.032
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: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -181.927555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.927555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.927555 (E_RNA)
where:
Base-Base interactions energy: -119.947
where: short stacking energy: -70.161
Base-Backbone interact. energy: 1.681
local terms energy: -63.661680
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -192.900047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900047 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.006
local terms energy: -67.849010
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -171.796099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.796099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.796099 (E_RNA)
where:
Base-Base interactions energy: -108.067
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.004
local terms energy: -63.724753
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -16.091
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: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -186.570631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.570631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.570631 (E_RNA)
where:
Base-Base interactions energy: -119.095
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.240
local terms energy: -67.235657
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -15.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -171.707312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.707312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.707312 (E_RNA)
where:
Base-Base interactions energy: -111.052
where: short stacking energy: -43.397
Base-Backbone interact. energy: -0.062
local terms energy: -60.593888
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -90.047872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.047872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.047872 (E_RNA)
where:
Base-Base interactions energy: -44.244
where: short stacking energy: -17.737
Base-Backbone interact. energy: -0.440
local terms energy: -45.363762
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -235.502668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.502668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.502668 (E_RNA)
where:
Base-Base interactions energy: -167.431
where: short stacking energy: -73.128
Base-Backbone interact. energy: -0.077
local terms energy: -67.993837
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -217.497453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.497453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.497453 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.056
local terms energy: -75.379859
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -199.161575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.161575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.161575 (E_RNA)
where:
Base-Base interactions energy: -141.880
where: short stacking energy: -59.555
Base-Backbone interact. energy: -0.122
local terms energy: -57.159287
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -194.247034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.247034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.247034 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -54.605
Base-Backbone interact. energy: 0.107
local terms energy: -71.347970
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -12.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -180.782609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.782609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.782609 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.134
local terms energy: -61.615187
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -13.501
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: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -181.194187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194187 (E_RNA)
where:
Base-Base interactions energy: -113.657
where: short stacking energy: -45.015
Base-Backbone interact. energy: 0.508
local terms energy: -68.045379
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -181.960413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.960413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960413 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.049
local terms energy: -63.013437
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -15.988
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: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -176.934166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.934166 (E_RNA)
where:
Base-Base interactions energy: -105.343
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.223
local terms energy: -71.368012
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.849
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: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -162.943809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.943809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.943809 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -52.639
Base-Backbone interact. energy: -0.002
local terms energy: -54.806986
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -2.604
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: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -77.877834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.877834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.877834 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -28.533
Base-Backbone interact. energy: -0.025
local terms energy: -47.473128
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -231.580411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.580411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580411 (E_RNA)
where:
Base-Base interactions energy: -164.312
where: short stacking energy: -72.652
Base-Backbone interact. energy: -0.250
local terms energy: -67.017848
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -211.800095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.800095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.800095 (E_RNA)
where:
Base-Base interactions energy: -131.254
where: short stacking energy: -66.596
Base-Backbone interact. energy: -0.116
local terms energy: -80.429804
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -213.243717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.243717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.243717 (E_RNA)
where:
Base-Base interactions energy: -144.657
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.163
local terms energy: -68.423347
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -192.587756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.587756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.587756 (E_RNA)
where:
Base-Base interactions energy: -120.683
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.092
local terms energy: -71.812783
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -187.982590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982590 (E_RNA)
where:
Base-Base interactions energy: -111.083
where: short stacking energy: -58.258
Base-Backbone interact. energy: 0.043
local terms energy: -76.941874
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.245
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: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -176.546042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.546042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.546042 (E_RNA)
where:
Base-Base interactions energy: -115.684
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.225
local terms energy: -60.636525
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -171.327797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.327797 (E_RNA)
where:
Base-Base interactions energy: -113.820
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.055
local terms energy: -57.452816
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -11.225
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -168.216777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216777 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -51.171
Base-Backbone interact. energy: -0.149
local terms energy: -61.550101
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -11.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -175.173214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.173214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.173214 (E_RNA)
where:
Base-Base interactions energy: -116.100
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.224
local terms energy: -58.849700
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -12.497
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: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -79.898904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.898904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.898904 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.678
local terms energy: -49.871151
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -234.117904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.117904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.117904 (E_RNA)
where:
Base-Base interactions energy: -160.617
where: short stacking energy: -66.201
Base-Backbone interact. energy: -0.304
local terms energy: -73.196551
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -218.998881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.998881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.998881 (E_RNA)
where:
Base-Base interactions energy: -148.812
where: short stacking energy: -52.778
Base-Backbone interact. energy: -0.259
local terms energy: -69.927118
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -207.177580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.177580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.177580 (E_RNA)
where:
Base-Base interactions energy: -128.511
where: short stacking energy: -61.864
Base-Backbone interact. energy: -0.432
local terms energy: -78.233848
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -12.890
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: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -195.563728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.563728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.563728 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.014
local terms energy: -66.436260
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -202.250208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250208 (E_RNA)
where:
Base-Base interactions energy: -132.475
where: short stacking energy: -64.227
Base-Backbone interact. energy: 0.626
local terms energy: -70.401919
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -14.907
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: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -176.036654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.036654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.036654 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -54.462
Base-Backbone interact. energy: -0.034
local terms energy: -57.512585
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -9.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -185.112878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.112878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.112878 (E_RNA)
where:
Base-Base interactions energy: -117.484
where: short stacking energy: -50.014
Base-Backbone interact. energy: -0.875
local terms energy: -66.753922
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -12.160
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: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -166.285575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.285575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.285575 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -53.284
Base-Backbone interact. energy: -0.967
local terms energy: -48.355804
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -161.454355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.454355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.454355 (E_RNA)
where:
Base-Base interactions energy: -104.276
where: short stacking energy: -52.494
Base-Backbone interact. energy: -0.127
local terms energy: -57.051428
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -83.124313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.124313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.124313 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -31.150
Base-Backbone interact. energy: 0.020
local terms energy: -43.387283
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: 0.833
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: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -235.693371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.693371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.693371 (E_RNA)
where:
Base-Base interactions energy: -161.160
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.951
local terms energy: -73.581992
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -214.581259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.581259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.581259 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -50.892
Base-Backbone interact. energy: -0.401
local terms energy: -65.656097
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -11.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -201.907514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.907514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.907514 (E_RNA)
where:
Base-Base interactions energy: -132.195
where: short stacking energy: -62.321
Base-Backbone interact. energy: -0.013
local terms energy: -69.700276
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -18.178
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -195.868887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.868887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.868887 (E_RNA)
where:
Base-Base interactions energy: -127.237
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.018
local terms energy: -68.614296
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -8.682
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: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -191.811528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.811528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.811528 (E_RNA)
where:
Base-Base interactions energy: -119.248
where: short stacking energy: -53.084
Base-Backbone interact. energy: -0.219
local terms energy: -72.344224
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -159.162134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.162134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.162134 (E_RNA)
where:
Base-Base interactions energy: -105.797
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.029
local terms energy: -53.336000
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -7.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -180.200591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.200591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.200591 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.217
local terms energy: -62.999764
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -5.599
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -161.403826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.403826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.403826 (E_RNA)
where:
Base-Base interactions energy: -97.733
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.154
local terms energy: -63.516492
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -12.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -81.479357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479357 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.848
local terms energy: -47.641423
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -159.268469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.268469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.268469 (E_RNA)
where:
Base-Base interactions energy: -103.893
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.134
local terms energy: -55.241470
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -7.427
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -237.951116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.951116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.951116 (E_RNA)
where:
Base-Base interactions energy: -166.360
where: short stacking energy: -63.415
Base-Backbone interact. energy: -2.031
local terms energy: -69.559947
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -198.773845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.773845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.773845 (E_RNA)
where:
Base-Base interactions energy: -132.856
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.012
local terms energy: -65.905858
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -210.923689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.923689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.923689 (E_RNA)
where:
Base-Base interactions energy: -160.661
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.516
local terms energy: -49.746451
where:
bonds (distance) C4'-P energy: -6.449
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -200.894318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.894318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.894318 (E_RNA)
where:
Base-Base interactions energy: -133.749
where: short stacking energy: -67.819
Base-Backbone interact. energy: -0.777
local terms energy: -66.368039
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -18.954
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: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -199.851883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.851883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.851883 (E_RNA)
where:
Base-Base interactions energy: -132.394
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.025
local terms energy: -67.432384
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -216.119674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119674 (E_RNA)
where:
Base-Base interactions energy: -158.834
where: short stacking energy: -63.641
Base-Backbone interact. energy: -0.909
local terms energy: -56.376969
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -8.341
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -13.010
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: 65
Temperature: 1.200000
Total energy: -178.575126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.575126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.575126 (E_RNA)
where:
Base-Base interactions energy: -112.219
where: short stacking energy: -56.663
Base-Backbone interact. energy: -0.004
local terms energy: -66.352498
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -14.835
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: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -95.552281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.552281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.552281 (E_RNA)
where:
Base-Base interactions energy: -44.638
where: short stacking energy: -43.862
Base-Backbone interact. energy: -0.069
local terms energy: -50.845080
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -9.003
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: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -158.396184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.396184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.396184 (E_RNA)
where:
Base-Base interactions energy: -100.467
where: short stacking energy: -47.891
Base-Backbone interact. energy: -0.167
local terms energy: -57.761672
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -151.708599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.708599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.708599 (E_RNA)
where:
Base-Base interactions energy: -100.611
where: short stacking energy: -42.414
Base-Backbone interact. energy: -0.179
local terms energy: -50.918950
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -7.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -228.465820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.465820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.465820 (E_RNA)
where:
Base-Base interactions energy: -159.036
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.409
local terms energy: -69.020696
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -14.622
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: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -207.739863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.739863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.739863 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.005
local terms energy: -75.648970
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -201.657122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.657122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657122 (E_RNA)
where:
Base-Base interactions energy: -131.028
where: short stacking energy: -67.969
Base-Backbone interact. energy: -0.051
local terms energy: -70.578802
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -15.361
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: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -218.935010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.935010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.935010 (E_RNA)
where:
Base-Base interactions energy: -158.630
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.302
local terms energy: -60.003067
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -211.981370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.981370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.981370 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -63.325
Base-Backbone interact. energy: -0.370
local terms energy: -62.978547
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -11.849
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -192.313659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.313659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.313659 (E_RNA)
where:
Base-Base interactions energy: -122.492
where: short stacking energy: -62.138
Base-Backbone interact. energy: -0.715
local terms energy: -69.106578
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -16.442
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: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -176.804207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804207 (E_RNA)
where:
Base-Base interactions energy: -110.152
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.125
local terms energy: -66.527282
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -97.052951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.052951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.052951 (E_RNA)
where:
Base-Base interactions energy: -54.903
where: short stacking energy: -44.359
Base-Backbone interact. energy: -0.147
local terms energy: -42.002226
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -163.227825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.227825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.227825 (E_RNA)
where:
Base-Base interactions energy: -114.648
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.247
local terms energy: -48.332245
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -153.528366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.528366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.528366 (E_RNA)
where:
Base-Base interactions energy: -97.898
where: short stacking energy: -49.250
Base-Backbone interact. energy: 0.304
local terms energy: -55.934447
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -9.641
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: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -240.188981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.188981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.188981 (E_RNA)
where:
Base-Base interactions energy: -168.764
where: short stacking energy: -68.737
Base-Backbone interact. energy: -2.046
local terms energy: -69.378119
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -14.496
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: 67
Temperature: 0.950000
Total energy: -201.157108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157108 (E_RNA)
where:
Base-Base interactions energy: -133.121
where: short stacking energy: -65.757
Base-Backbone interact. energy: -0.017
local terms energy: -68.018687
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -201.681496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.681496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.681496 (E_RNA)
where:
Base-Base interactions energy: -137.507
where: short stacking energy: -64.754
Base-Backbone interact. energy: 1.023
local terms energy: -65.196883
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -4.696
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: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -233.848247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.848247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.848247 (E_RNA)
where:
Base-Base interactions energy: -159.556
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.034
local terms energy: -74.257894
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -232.504158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.504158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.504158 (E_RNA)
where:
Base-Base interactions energy: -160.679
where: short stacking energy: -65.094
Base-Backbone interact. energy: 0.339
local terms energy: -72.164943
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -189.496190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.496190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.496190 (E_RNA)
where:
Base-Base interactions energy: -121.086
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.053
local terms energy: -68.356879
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -188.312286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.312286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.312286 (E_RNA)
where:
Base-Base interactions energy: -116.441
where: short stacking energy: -66.210
Base-Backbone interact. energy: -0.074
local terms energy: -71.796631
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -18.145
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: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -171.054588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.054588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.054588 (E_RNA)
where:
Base-Base interactions energy: -109.603
where: short stacking energy: -50.648
Base-Backbone interact. energy: -0.773
local terms energy: -60.678991
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.446163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.446163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.446163 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.010
local terms energy: -57.557960
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -146.215475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.215475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.215475 (E_RNA)
where:
Base-Base interactions energy: -95.612
where: short stacking energy: -48.959
Base-Backbone interact. energy: 0.094
local terms energy: -50.697480
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -7.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -231.473189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.473189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.473189 (E_RNA)
where:
Base-Base interactions energy: -158.973
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.171
local terms energy: -72.329252
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -203.674661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.674661 (E_RNA)
where:
Base-Base interactions energy: -132.054
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.067
local terms energy: -71.553459
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -16.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -193.726913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.726913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.726913 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -59.161
Base-Backbone interact. energy: -0.382
local terms energy: -72.135903
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -7.143
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: 4, replica: 8
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -200.366797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.366797 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -54.442
Base-Backbone interact. energy: -1.011
local terms energy: -64.857250
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -215.863019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863019 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.401
local terms energy: -64.996990
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -179.183712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.183712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.183712 (E_RNA)
where:
Base-Base interactions energy: -112.696
where: short stacking energy: -52.477
Base-Backbone interact. energy: -0.031
local terms energy: -66.456084
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -11.738
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: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -157.423559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.423559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.423559 (E_RNA)
where:
Base-Base interactions energy: -104.995
where: short stacking energy: -51.563
Base-Backbone interact. energy: -0.129
local terms energy: -52.300185
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -166.032476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.032476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.032476 (E_RNA)
where:
Base-Base interactions energy: -100.665
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.053
local terms energy: -65.314688
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -169.266122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.266122 (E_RNA)
where:
Base-Base interactions energy: -111.647
where: short stacking energy: -56.194
Base-Backbone interact. energy: -0.354
local terms energy: -57.265255
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -83.967226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.967226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.967226 (E_RNA)
where:
Base-Base interactions energy: -24.617
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.090
local terms energy: -59.259939
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -231.501127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.501127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.501127 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.169
local terms energy: -70.770731
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -204.691862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.691862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.691862 (E_RNA)
where:
Base-Base interactions energy: -131.142
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.084
local terms energy: -73.466407
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -189.762768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.762768 (E_RNA)
where:
Base-Base interactions energy: -125.949
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.056
local terms energy: -63.757474
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -15.546
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: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -192.157141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.157141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.157141 (E_RNA)
where:
Base-Base interactions energy: -121.967
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.109
local terms energy: -70.080820
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -199.465179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.465179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.465179 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -62.575
Base-Backbone interact. energy: -0.612
local terms energy: -52.668944
where:
bonds (distance) C4'-P energy: -7.496
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -184.854725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.854725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.854725 (E_RNA)
where:
Base-Base interactions energy: -115.584
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.258
local terms energy: -69.012106
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -181.999337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.999337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.999337 (E_RNA)
where:
Base-Base interactions energy: -119.485
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.118
local terms energy: -62.396321
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -175.332863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332863 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.091
local terms energy: -59.298248
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -160.809259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.809259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.809259 (E_RNA)
where:
Base-Base interactions energy: -108.745
where: short stacking energy: -56.720
Base-Backbone interact. energy: -0.644
local terms energy: -51.419764
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -82.303576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.303576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.303576 (E_RNA)
where:
Base-Base interactions energy: -23.321
where: short stacking energy: -23.321
Base-Backbone interact. energy: -0.074
local terms energy: -58.909017
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -247.161461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.161461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.161461 (E_RNA)
where:
Base-Base interactions energy: -173.753
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.136
local terms energy: -73.272936
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -204.694551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.694551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.694551 (E_RNA)
where:
Base-Base interactions energy: -130.614
where: short stacking energy: -67.875
Base-Backbone interact. energy: 0.167
local terms energy: -74.247363
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -193.458698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.458698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.458698 (E_RNA)
where:
Base-Base interactions energy: -125.296
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.243
local terms energy: -67.919479
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -13.813
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -186.904869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904869 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.006
local terms energy: -67.603119
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -14.350
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: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -213.931148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.931148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.931148 (E_RNA)
where:
Base-Base interactions energy: -151.106
where: short stacking energy: -60.618
Base-Backbone interact. energy: 0.104
local terms energy: -62.928910
where:
bonds (distance) C4'-P energy: -9.238
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.853
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: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -180.013202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.013202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.013202 (E_RNA)
where:
Base-Base interactions energy: -115.530
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.830
local terms energy: -63.653314
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -13.254
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: 70
Temperature: 1.200000
Total energy: -176.058552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.058552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.058552 (E_RNA)
where:
Base-Base interactions energy: -108.419
where: short stacking energy: -50.029
Base-Backbone interact. energy: -0.284
local terms energy: -67.356047
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -157.568726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.568726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.568726 (E_RNA)
where:
Base-Base interactions energy: -100.948
where: short stacking energy: -44.666
Base-Backbone interact. energy: -0.492
local terms energy: -56.129148
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -158.902033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.902033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.902033 (E_RNA)
where:
Base-Base interactions energy: -96.415
where: short stacking energy: -42.573
Base-Backbone interact. energy: 0.209
local terms energy: -62.695983
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -77.478029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.478029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.478029 (E_RNA)
where:
Base-Base interactions energy: -31.566
where: short stacking energy: -31.566
Base-Backbone interact. energy: -0.826
local terms energy: -45.085862
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -243.790819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.790819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.790819 (E_RNA)
where:
Base-Base interactions energy: -163.654
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.265
local terms energy: -79.871142
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -18.057
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: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -202.457439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.457439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457439 (E_RNA)
where:
Base-Base interactions energy: -131.357
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.003
local terms energy: -71.097052
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -14.710
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: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -190.113400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.113400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.113400 (E_RNA)
where:
Base-Base interactions energy: -115.804
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.075
local terms energy: -74.234390
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -188.378520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378520 (E_RNA)
where:
Base-Base interactions energy: -125.903
where: short stacking energy: -51.955
Base-Backbone interact. energy: -1.695
local terms energy: -60.780582
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -11.398
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: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -189.563860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.563860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.563860 (E_RNA)
where:
Base-Base interactions energy: -121.339
where: short stacking energy: -66.277
Base-Backbone interact. energy: -0.052
local terms energy: -68.172567
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -176.065512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.065512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.065512 (E_RNA)
where:
Base-Base interactions energy: -111.130
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.013
local terms energy: -64.922492
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.380
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: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -176.287738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.287738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.287738 (E_RNA)
where:
Base-Base interactions energy: -113.168
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.068
local terms energy: -63.051671
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -6.068
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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -169.158300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.158300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.158300 (E_RNA)
where:
Base-Base interactions energy: -103.627
where: short stacking energy: -55.051
Base-Backbone interact. energy: 0.177
local terms energy: -65.708602
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -148.577290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.577290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.577290 (E_RNA)
where:
Base-Base interactions energy: -92.622
where: short stacking energy: -43.828
Base-Backbone interact. energy: -0.757
local terms energy: -55.198597
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -13.168
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: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -96.173432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.173432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.173432 (E_RNA)
where:
Base-Base interactions energy: -42.573
where: short stacking energy: -42.573
Base-Backbone interact. energy: -0.092
local terms energy: -53.508147
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -243.380758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.380758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.380758 (E_RNA)
where:
Base-Base interactions energy: -161.690
where: short stacking energy: -67.598
Base-Backbone interact. energy: -1.040
local terms energy: -80.650379
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -203.408521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.408521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.408521 (E_RNA)
where:
Base-Base interactions energy: -126.631
where: short stacking energy: -67.858
Base-Backbone interact. energy: -0.096
local terms energy: -76.682086
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -201.255092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.255092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.255092 (E_RNA)
where:
Base-Base interactions energy: -125.919
where: short stacking energy: -67.038
Base-Backbone interact. energy: -0.013
local terms energy: -75.323736
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -194.507015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.507015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507015 (E_RNA)
where:
Base-Base interactions energy: -127.199
where: short stacking energy: -54.357
Base-Backbone interact. energy: 0.149
local terms energy: -67.456631
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -10.301
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: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -176.492269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492269 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.977
local terms energy: -61.271446
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -6.550
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: 72
Temperature: 1.150000
Total energy: -172.783127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.783127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.783127 (E_RNA)
where:
Base-Base interactions energy: -107.333
where: short stacking energy: -56.694
Base-Backbone interact. energy: -0.364
local terms energy: -65.086080
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -10.896
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: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -182.787825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.787825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.787825 (E_RNA)
where:
Base-Base interactions energy: -119.310
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.151
local terms energy: -63.326452
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -171.259856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.259856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.259856 (E_RNA)
where:
Base-Base interactions energy: -109.499
where: short stacking energy: -43.953
Base-Backbone interact. energy: -0.009
local terms energy: -61.752680
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -8.324
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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -141.635303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.635303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.635303 (E_RNA)
where:
Base-Base interactions energy: -88.167
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.671
local terms energy: -52.797919
where:
bonds (distance) C4'-P energy: -7.221
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -11.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -76.148944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.148944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.148944 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -33.837
Base-Backbone interact. energy: 0.256
local terms energy: -42.136692
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -239.503425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.503425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.503425 (E_RNA)
where:
Base-Base interactions energy: -168.744
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.413
local terms energy: -70.346901
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -196.012185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.012185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.012185 (E_RNA)
where:
Base-Base interactions energy: -124.321
where: short stacking energy: -57.200
Base-Backbone interact. energy: -0.001
local terms energy: -71.689409
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -195.043911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.043911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.043911 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.006
local terms energy: -69.182999
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -174.935672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.935672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.935672 (E_RNA)
where:
Base-Base interactions energy: -108.080
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.674
local terms energy: -66.181802
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -174.269205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.269205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.269205 (E_RNA)
where:
Base-Base interactions energy: -110.184
where: short stacking energy: -52.348
Base-Backbone interact. energy: -0.930
local terms energy: -63.155141
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -183.567660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.567660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.567660 (E_RNA)
where:
Base-Base interactions energy: -109.131
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.327
local terms energy: -74.110552
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -176.161910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.161910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.161910 (E_RNA)
where:
Base-Base interactions energy: -110.512
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.217
local terms energy: -65.432392
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -170.585793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.585793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.585793 (E_RNA)
where:
Base-Base interactions energy: -105.111
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.558
local terms energy: -64.917417
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -11.948
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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -154.336452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.336452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.336452 (E_RNA)
where:
Base-Base interactions energy: -98.348
where: short stacking energy: -47.176
Base-Backbone interact. energy: -0.402
local terms energy: -55.586088
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -11.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -82.546914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.546914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.546914 (E_RNA)
where:
Base-Base interactions energy: -29.979
where: short stacking energy: -29.084
Base-Backbone interact. energy: 0.411
local terms energy: -52.978462
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -242.514442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.514442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.514442 (E_RNA)
where:
Base-Base interactions energy: -161.502
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.291
local terms energy: -80.721606
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -17.449
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: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -197.558598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.558598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.558598 (E_RNA)
where:
Base-Base interactions energy: -131.316
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.603
local terms energy: -65.639724
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -16.129
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: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -190.484459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.484459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.484459 (E_RNA)
where:
Base-Base interactions energy: -116.199
where: short stacking energy: -55.025
Base-Backbone interact. energy: -0.020
local terms energy: -74.264915
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -183.759693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.759693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.759693 (E_RNA)
where:
Base-Base interactions energy: -113.278
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.014
local terms energy: -70.467782
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -189.474049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.474049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.474049 (E_RNA)
where:
Base-Base interactions energy: -120.034
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.246
local terms energy: -69.194172
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -166.584568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.584568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.584568 (E_RNA)
where:
Base-Base interactions energy: -107.125
where: short stacking energy: -49.370
Base-Backbone interact. energy: -0.382
local terms energy: -59.077752
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -8.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -178.335663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335663 (E_RNA)
where:
Base-Base interactions energy: -105.485
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.070
local terms energy: -72.779967
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -14.440
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -162.702653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.702653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.702653 (E_RNA)
where:
Base-Base interactions energy: -104.033
where: short stacking energy: -50.436
Base-Backbone interact. energy: -0.128
local terms energy: -58.541686
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -9.899
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -153.474337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.474337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.474337 (E_RNA)
where:
Base-Base interactions energy: -97.988
where: short stacking energy: -50.996
Base-Backbone interact. energy: -0.512
local terms energy: -54.973726
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -8.007
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -91.519214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.519214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.519214 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -38.503
Base-Backbone interact. energy: -0.283
local terms energy: -50.037908
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -247.767332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.767332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.767332 (E_RNA)
where:
Base-Base interactions energy: -171.717
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.980
local terms energy: -75.071238
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -16.935
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: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -194.635447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.635447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.635447 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.028
local terms energy: -67.037630
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -208.769113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.769113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.769113 (E_RNA)
where:
Base-Base interactions energy: -142.793
where: short stacking energy: -72.629
Base-Backbone interact. energy: -0.004
local terms energy: -65.971931
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -200.920209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.920209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.920209 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.765
local terms energy: -65.214546
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -13.115
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: 5, replica: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -190.606534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.606534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.606534 (E_RNA)
where:
Base-Base interactions energy: -124.323
where: short stacking energy: -64.703
Base-Backbone interact. energy: 0.355
local terms energy: -66.637896
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -177.631460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.631460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.631460 (E_RNA)
where:
Base-Base interactions energy: -117.113
where: short stacking energy: -56.470
Base-Backbone interact. energy: -0.118
local terms energy: -60.400940
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -171.037921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.037921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.037921 (E_RNA)
where:
Base-Base interactions energy: -107.234
where: short stacking energy: -46.278
Base-Backbone interact. energy: -0.295
local terms energy: -63.508749
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -176.693808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.693808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.693808 (E_RNA)
where:
Base-Base interactions energy: -119.523
where: short stacking energy: -51.526
Base-Backbone interact. energy: 0.223
local terms energy: -57.393997
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -7.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -160.874906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.874906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.874906 (E_RNA)
where:
Base-Base interactions energy: -108.123
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.325
local terms energy: -52.426879
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.299832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.299832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.299832 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -28.196
Base-Backbone interact. energy: 0.635
local terms energy: -43.526529
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -241.433988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.433988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.433988 (E_RNA)
where:
Base-Base interactions energy: -174.922
where: short stacking energy: -63.041
Base-Backbone interact. energy: -0.353
local terms energy: -66.158134
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -192.512054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.512054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.512054 (E_RNA)
where:
Base-Base interactions energy: -120.346
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.298
local terms energy: -71.868712
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -200.164070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.164070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.164070 (E_RNA)
where:
Base-Base interactions energy: -131.470
where: short stacking energy: -71.783
Base-Backbone interact. energy: -0.081
local terms energy: -68.613862
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -196.903299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.903299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.903299 (E_RNA)
where:
Base-Base interactions energy: -124.712
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.017
local terms energy: -72.174152
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -177.712970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.712970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.712970 (E_RNA)
where:
Base-Base interactions energy: -120.476
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.243
local terms energy: -56.994494
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -178.334869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.334869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.334869 (E_RNA)
where:
Base-Base interactions energy: -110.705
where: short stacking energy: -46.000
Base-Backbone interact. energy: -0.045
local terms energy: -67.583985
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -13.012
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: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -174.631229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.631229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.631229 (E_RNA)
where:
Base-Base interactions energy: -116.456
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.207
local terms energy: -57.967585
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -170.861426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.861426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.861426 (E_RNA)
where:
Base-Base interactions energy: -109.437
where: short stacking energy: -49.114
Base-Backbone interact. energy: -0.082
local terms energy: -61.342213
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -159.581580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.581580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.581580 (E_RNA)
where:
Base-Base interactions energy: -99.661
where: short stacking energy: -50.173
Base-Backbone interact. energy: -0.029
local terms energy: -59.892235
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -95.223485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223485 (E_RNA)
where:
Base-Base interactions energy: -45.512
where: short stacking energy: -32.467
Base-Backbone interact. energy: -0.199
local terms energy: -49.512624
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -239.886528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.886528 (E_RNA)
where:
Base-Base interactions energy: -170.992
where: short stacking energy: -57.606
Base-Backbone interact. energy: -0.416
local terms energy: -68.478201
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -14.950
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: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -204.488032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.488032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.488032 (E_RNA)
where:
Base-Base interactions energy: -131.671
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.002
local terms energy: -72.815954
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -203.820211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820211 (E_RNA)
where:
Base-Base interactions energy: -130.790
where: short stacking energy: -63.943
Base-Backbone interact. energy: -0.246
local terms energy: -72.783781
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -19.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -183.404896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.404896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.404896 (E_RNA)
where:
Base-Base interactions energy: -123.989
where: short stacking energy: -62.665
Base-Backbone interact. energy: -0.104
local terms energy: -59.311858
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -192.655803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.655803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.655803 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.163
local terms energy: -61.978476
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -2.299
tors. eta vs tors. theta energy: -12.808
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: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -180.196443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.196443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.196443 (E_RNA)
where:
Base-Base interactions energy: -113.162
where: short stacking energy: -54.572
Base-Backbone interact. energy: 0.608
local terms energy: -67.641879
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -183.218535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.218535 (E_RNA)
where:
Base-Base interactions energy: -112.443
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.587
local terms energy: -70.187706
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -17.369
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: 77
Temperature: 1.250000
Total energy: -176.281987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.281987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.281987 (E_RNA)
where:
Base-Base interactions energy: -119.641
where: short stacking energy: -53.356
Base-Backbone interact. energy: -0.033
local terms energy: -56.608202
where:
bonds (distance) C4'-P energy: -7.537
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -12.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -143.755659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.755659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.755659 (E_RNA)
where:
Base-Base interactions energy: -87.838
where: short stacking energy: -45.269
Base-Backbone interact. energy: -0.172
local terms energy: -55.745907
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -79.058546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.058546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.058546 (E_RNA)
where:
Base-Base interactions energy: -41.633
where: short stacking energy: -29.936
Base-Backbone interact. energy: 1.090
local terms energy: -38.515144
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -240.717984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.717984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.717984 (E_RNA)
where:
Base-Base interactions energy: -172.010
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.333
local terms energy: -68.374984
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -205.424323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.424323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.424323 (E_RNA)
where:
Base-Base interactions energy: -131.707
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.008
local terms energy: -73.709305
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -192.106892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.106892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.106892 (E_RNA)
where:
Base-Base interactions energy: -121.534
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.031
local terms energy: -70.542388
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -14.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -194.018089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.018089 (E_RNA)
where:
Base-Base interactions energy: -125.325
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.001
local terms energy: -68.691342
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -172.795277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.795277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.795277 (E_RNA)
where:
Base-Base interactions energy: -106.481
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.057
local terms energy: -66.257716
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -172.982872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.982872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.982872 (E_RNA)
where:
Base-Base interactions energy: -124.216
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.078
local terms energy: -48.688813
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -10.965
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.339
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: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -179.702154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.702154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.702154 (E_RNA)
where:
Base-Base interactions energy: -122.248
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.151
local terms energy: -57.303788
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -169.364594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.364594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.364594 (E_RNA)
where:
Base-Base interactions energy: -112.806
where: short stacking energy: -46.436
Base-Backbone interact. energy: -0.294
local terms energy: -56.264509
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -167.089603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.089603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.089603 (E_RNA)
where:
Base-Base interactions energy: -105.154
where: short stacking energy: -50.156
Base-Backbone interact. energy: -0.115
local terms energy: -61.820503
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -11.343
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: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -87.145279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145279 (E_RNA)
where:
Base-Base interactions energy: -34.959
where: short stacking energy: -22.648
Base-Backbone interact. energy: -0.507
local terms energy: -51.680186
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -10.371
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -245.277326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.277326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.277326 (E_RNA)
where:
Base-Base interactions energy: -170.447
where: short stacking energy: -66.749
Base-Backbone interact. energy: -1.119
local terms energy: -73.710966
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -200.709078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.709078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.709078 (E_RNA)
where:
Base-Base interactions energy: -129.656
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.745
local terms energy: -70.308909
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -208.949867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.949867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.949867 (E_RNA)
where:
Base-Base interactions energy: -135.402
where: short stacking energy: -74.477
Base-Backbone interact. energy: -0.018
local terms energy: -73.529680
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -190.020005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.020005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020005 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.216
local terms energy: -67.596752
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -13.137
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: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -187.394567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.394567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.394567 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -65.188
Base-Backbone interact. energy: 0.569
local terms energy: -68.199654
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -183.667950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.667950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.667950 (E_RNA)
where:
Base-Base interactions energy: -122.370
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.061
local terms energy: -61.236544
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -187.257507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.257507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.257507 (E_RNA)
where:
Base-Base interactions energy: -124.048
where: short stacking energy: -58.136
Base-Backbone interact. energy: -0.082
local terms energy: -63.128071
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -166.315990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.315990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.315990 (E_RNA)
where:
Base-Base interactions energy: -109.320
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.246
local terms energy: -56.750158
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -162.470759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.470759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.470759 (E_RNA)
where:
Base-Base interactions energy: -104.967
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.183
local terms energy: -57.320772
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -11.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -77.516976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516976 (E_RNA)
where:
Base-Base interactions energy: -32.301
where: short stacking energy: -24.816
Base-Backbone interact. energy: 3.600
local terms energy: -48.815497
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -10.253
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: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -243.326711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.326711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.326711 (E_RNA)
where:
Base-Base interactions energy: -163.897
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.907
local terms energy: -78.522974
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -202.151863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.151863 (E_RNA)
where:
Base-Base interactions energy: -129.659
where: short stacking energy: -73.821
Base-Backbone interact. energy: -0.297
local terms energy: -72.195336
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -200.152751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.152751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.152751 (E_RNA)
where:
Base-Base interactions energy: -137.728
where: short stacking energy: -65.542
Base-Backbone interact. energy: 0.051
local terms energy: -62.475333
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -14.541
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: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -185.476776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476776 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -64.274
Base-Backbone interact. energy: -0.644
local terms energy: -66.734208
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.696
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: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -172.337498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.337498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.337498 (E_RNA)
where:
Base-Base interactions energy: -112.339
where: short stacking energy: -52.558
Base-Backbone interact. energy: -0.097
local terms energy: -59.901514
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.661
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: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -181.664401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.664401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.664401 (E_RNA)
where:
Base-Base interactions energy: -115.637
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.009
local terms energy: -66.017764
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -167.341699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.341699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.341699 (E_RNA)
where:
Base-Base interactions energy: -110.745
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.346
local terms energy: -56.250448
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -11.332
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: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -167.984956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.984956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.984956 (E_RNA)
where:
Base-Base interactions energy: -101.278
where: short stacking energy: -50.426
Base-Backbone interact. energy: -1.159
local terms energy: -65.547701
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -157.181130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.181130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.181130 (E_RNA)
where:
Base-Base interactions energy: -95.873
where: short stacking energy: -44.389
Base-Backbone interact. energy: -0.020
local terms energy: -61.287436
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -81.794229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.794229 (E_RNA)
where:
Base-Base interactions energy: -27.301
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.000
local terms energy: -54.493125
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -237.840096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.840096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.840096 (E_RNA)
where:
Base-Base interactions energy: -163.419
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.107
local terms energy: -74.313922
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -203.232015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.232015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.232015 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -62.560
Base-Backbone interact. energy: -0.334
local terms energy: -76.554594
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -225.277319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.277319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.277319 (E_RNA)
where:
Base-Base interactions energy: -154.018
where: short stacking energy: -55.210
Base-Backbone interact. energy: -0.142
local terms energy: -71.117309
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -15.070
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: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -176.556212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.556212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.556212 (E_RNA)
where:
Base-Base interactions energy: -109.541
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.050
local terms energy: -66.965361
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -206.486014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486014 (E_RNA)
where:
Base-Base interactions energy: -134.557
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.260
local terms energy: -71.669361
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -192.777456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.777456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.777456 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.158
local terms energy: -69.264852
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -167.240875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.240875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.240875 (E_RNA)
where:
Base-Base interactions energy: -102.900
where: short stacking energy: -43.699
Base-Backbone interact. energy: -0.946
local terms energy: -63.395697
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -157.458154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.458154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.458154 (E_RNA)
where:
Base-Base interactions energy: -99.875
where: short stacking energy: -44.829
Base-Backbone interact. energy: 0.179
local terms energy: -57.762211
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -7.704
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -140.149241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.149241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.149241 (E_RNA)
where:
Base-Base interactions energy: -86.311
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.124
local terms energy: -53.714145
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -76.374622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.374622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.374622 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.146
local terms energy: -40.732418
where:
bonds (distance) C4'-P energy: -8.977
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -1.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -233.792022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.792022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.792022 (E_RNA)
where:
Base-Base interactions energy: -161.050
where: short stacking energy: -61.038
Base-Backbone interact. energy: -1.913
local terms energy: -70.828535
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -209.159369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.159369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.159369 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.229
local terms energy: -76.823072
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -16.705
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: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -209.451478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.451478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.451478 (E_RNA)
where:
Base-Base interactions energy: -148.096
where: short stacking energy: -62.147
Base-Backbone interact. energy: 1.292
local terms energy: -62.647015
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -8.074
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -192.931422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.931422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931422 (E_RNA)
where:
Base-Base interactions energy: -126.274
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.462
local terms energy: -66.195641
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -179.945958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.945958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.945958 (E_RNA)
where:
Base-Base interactions energy: -116.919
where: short stacking energy: -47.655
Base-Backbone interact. energy: 0.129
local terms energy: -63.155642
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -181.414861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.414861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.414861 (E_RNA)
where:
Base-Base interactions energy: -117.138
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.486
local terms energy: -63.791103
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -11.495
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: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -169.699904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.699904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.699904 (E_RNA)
where:
Base-Base interactions energy: -109.243
where: short stacking energy: -54.652
Base-Backbone interact. energy: -0.060
local terms energy: -60.396451
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -160.015443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.015443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.015443 (E_RNA)
where:
Base-Base interactions energy: -100.759
where: short stacking energy: -53.530
Base-Backbone interact. energy: -0.101
local terms energy: -59.155907
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -98.884154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.884154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.884154 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -38.851
Base-Backbone interact. energy: -0.097
local terms energy: -59.936896
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -91.274067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274067 (E_RNA)
where:
Base-Base interactions energy: -50.978
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.425
local terms energy: -39.871482
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -5.300
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -242.052890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.052890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.052890 (E_RNA)
where:
Base-Base interactions energy: -168.061
where: short stacking energy: -72.335
Base-Backbone interact. energy: -0.694
local terms energy: -73.298276
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -15.537
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: 83
Temperature: 0.950000
Total energy: -222.878750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.878750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.878750 (E_RNA)
where:
Base-Base interactions energy: -154.201
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.422
local terms energy: -68.256025
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -202.103458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.103458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.103458 (E_RNA)
where:
Base-Base interactions energy: -127.127
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.001
local terms energy: -74.975737
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -12.936
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: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -187.881746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.881746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.881746 (E_RNA)
where:
Base-Base interactions energy: -119.495
where: short stacking energy: -69.534
Base-Backbone interact. energy: -0.713
local terms energy: -67.674123
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -196.205414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.205414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.205414 (E_RNA)
where:
Base-Base interactions energy: -129.805
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.319
local terms energy: -66.081802
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -14.887
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: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -172.173866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.173866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.173866 (E_RNA)
where:
Base-Base interactions energy: -118.203
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.285
local terms energy: -53.685555
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.358
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -171.261760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.261760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.261760 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -63.137
Base-Backbone interact. energy: 0.155
local terms energy: -54.371117
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -167.457861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.457861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.457861 (E_RNA)
where:
Base-Base interactions energy: -114.480
where: short stacking energy: -49.295
Base-Backbone interact. energy: -0.128
local terms energy: -52.849956
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -1.922
tors. eta vs tors. theta energy: -14.419
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: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -87.307907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.307907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.307907 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -35.825
Base-Backbone interact. energy: -0.216
local terms energy: -50.270402
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.177
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: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -100.017729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.017729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.017729 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -34.350
Base-Backbone interact. energy: -0.005
local terms energy: -61.349074
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -7.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -225.314914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.314914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.314914 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -75.759
Base-Backbone interact. energy: 0.709
local terms energy: -74.780698
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -242.336614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.336614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.336614 (E_RNA)
where:
Base-Base interactions energy: -168.202
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.303
local terms energy: -73.831631
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -216.884338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.884338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884338 (E_RNA)
where:
Base-Base interactions energy: -143.001
where: short stacking energy: -66.662
Base-Backbone interact. energy: -0.017
local terms energy: -73.866665
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -13.052
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: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -179.506557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.506557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.506557 (E_RNA)
where:
Base-Base interactions energy: -118.425
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.480
local terms energy: -60.602060
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -176.686491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.686491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.686491 (E_RNA)
where:
Base-Base interactions energy: -119.508
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.477
local terms energy: -56.701908
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -177.517990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.517990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.517990 (E_RNA)
where:
Base-Base interactions energy: -111.067
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.486
local terms energy: -65.965238
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -170.968697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.968697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.968697 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.096
local terms energy: -47.542037
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -5.690
flat angles P-C4'-P energy: -3.689
tors. eta vs tors. theta energy: -13.595
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: 84
Temperature: 1.250000
Total energy: -169.044391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.044391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.044391 (E_RNA)
where:
Base-Base interactions energy: -108.928
where: short stacking energy: -57.352
Base-Backbone interact. energy: -0.280
local terms energy: -59.837044
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -101.935069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.935069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.935069 (E_RNA)
where:
Base-Base interactions energy: -42.118
where: short stacking energy: -42.118
Base-Backbone interact. energy: -1.347
local terms energy: -58.470561
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -9.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -107.377530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.377530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.377530 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -43.032
Base-Backbone interact. energy: -0.026
local terms energy: -64.319272
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -231.645746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.645746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.645746 (E_RNA)
where:
Base-Base interactions energy: -161.166
where: short stacking energy: -75.917
Base-Backbone interact. energy: -0.187
local terms energy: -70.292709
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -232.173878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.173878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.173878 (E_RNA)
where:
Base-Base interactions energy: -160.987
where: short stacking energy: -64.446
Base-Backbone interact. energy: 0.507
local terms energy: -71.693903
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -222.398829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.398829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.398829 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.031
local terms energy: -75.000688
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -18.369
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: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -188.988363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988363 (E_RNA)
where:
Base-Base interactions energy: -116.506
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.017
local terms energy: -72.464519
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -12.151
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: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -176.553989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.553989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.553989 (E_RNA)
where:
Base-Base interactions energy: -113.656
where: short stacking energy: -57.573
Base-Backbone interact. energy: -0.252
local terms energy: -62.646052
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -2.795
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: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -186.574147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574147 (E_RNA)
where:
Base-Base interactions energy: -122.598
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.286
local terms energy: -63.690814
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -187.890829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.890829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.890829 (E_RNA)
where:
Base-Base interactions energy: -117.701
where: short stacking energy: -70.029
Base-Backbone interact. energy: -0.001
local terms energy: -70.188671
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -171.605354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.605354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.605354 (E_RNA)
where:
Base-Base interactions energy: -112.556
where: short stacking energy: -58.966
Base-Backbone interact. energy: -0.076
local terms energy: -58.973856
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -94.817718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.817718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.817718 (E_RNA)
where:
Base-Base interactions energy: -45.536
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.011
local terms energy: -49.270780
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -75.186717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.186717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.186717 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.532
local terms energy: -40.797433
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -2.809
tors. eta vs tors. theta energy: -3.993
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: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -233.504493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.504493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.504493 (E_RNA)
where:
Base-Base interactions energy: -165.138
where: short stacking energy: -60.105
Base-Backbone interact. energy: -0.637
local terms energy: -67.729323
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -243.018330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.018330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.018330 (E_RNA)
where:
Base-Base interactions energy: -175.404
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.686
local terms energy: -66.927955
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -210.432993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.432993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.432993 (E_RNA)
where:
Base-Base interactions energy: -145.117
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.110
local terms energy: -65.205790
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -17.254
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -184.500730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.500730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.500730 (E_RNA)
where:
Base-Base interactions energy: -119.964
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.001
local terms energy: -64.536210
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -14.802
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: 86
Temperature: 1.100000
Total energy: -179.538355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.538355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.538355 (E_RNA)
where:
Base-Base interactions energy: -113.109
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.148
local terms energy: -66.281974
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -10.006
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: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -191.631280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.631280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.631280 (E_RNA)
where:
Base-Base interactions energy: -131.312
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.288
local terms energy: -60.031850
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -14.006
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: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -173.986746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.986746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.986746 (E_RNA)
where:
Base-Base interactions energy: -108.617
where: short stacking energy: -56.210
Base-Backbone interact. energy: -0.459
local terms energy: -64.910348
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -167.776659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.776659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.776659 (E_RNA)
where:
Base-Base interactions energy: -103.406
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.107
local terms energy: -64.263230
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -11.649
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: 86
Temperature: 1.300000
Total energy: -81.164275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164275 (E_RNA)
where:
Base-Base interactions energy: -38.580
where: short stacking energy: -32.628
Base-Backbone interact. energy: -0.462
local terms energy: -42.122156
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: 1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -87.513813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.513813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.513813 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -44.194
Base-Backbone interact. energy: -0.001
local terms energy: -43.318307
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -2.305
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: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -239.390211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.390211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.390211 (E_RNA)
where:
Base-Base interactions energy: -169.703
where: short stacking energy: -60.957
Base-Backbone interact. energy: -1.036
local terms energy: -68.650556
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -241.193419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.193419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.193419 (E_RNA)
where:
Base-Base interactions energy: -171.893
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.485
local terms energy: -68.815702
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -209.702546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.702546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.702546 (E_RNA)
where:
Base-Base interactions energy: -137.173
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.001
local terms energy: -72.529333
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -182.531159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.531159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.531159 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.008
local terms energy: -63.993232
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -14.996
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: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -187.319573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.319573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.319573 (E_RNA)
where:
Base-Base interactions energy: -124.870
where: short stacking energy: -63.221
Base-Backbone interact. energy: -0.442
local terms energy: -62.007442
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -185.658485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658485 (E_RNA)
where:
Base-Base interactions energy: -127.179
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.289
local terms energy: -58.191135
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -8.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -171.056092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.056092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.056092 (E_RNA)
where:
Base-Base interactions energy: -108.240
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.048
local terms energy: -62.768375
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.697
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: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -166.604468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.604468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.604468 (E_RNA)
where:
Base-Base interactions energy: -107.542
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.258
local terms energy: -58.804316
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -82.373358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.373358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.373358 (E_RNA)
where:
Base-Base interactions energy: -27.954
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.115
local terms energy: -54.303513
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -6.996
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -87.693315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693315 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -36.978
Base-Backbone interact. energy: -0.080
local terms energy: -50.272569
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -7.930
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -241.477865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.477865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.477865 (E_RNA)
where:
Base-Base interactions energy: -167.149
where: short stacking energy: -67.264
Base-Backbone interact. energy: -0.140
local terms energy: -74.189300
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -232.175278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.175278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.175278 (E_RNA)
where:
Base-Base interactions energy: -162.932
where: short stacking energy: -67.112
Base-Backbone interact. energy: 0.503
local terms energy: -69.746029
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -207.704269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.704269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.704269 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.168
local terms energy: -71.913991
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -182.290335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.290335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.290335 (E_RNA)
where:
Base-Base interactions energy: -113.825
where: short stacking energy: -63.451
Base-Backbone interact. energy: -1.104
local terms energy: -67.361280
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -185.544242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.544242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.544242 (E_RNA)
where:
Base-Base interactions energy: -128.107
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.222
local terms energy: -57.215397
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -7.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -192.401388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.401388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.401388 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -60.606
Base-Backbone interact. energy: -1.665
local terms energy: -69.285815
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -174.902563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.902563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.902563 (E_RNA)
where:
Base-Base interactions energy: -112.269
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.404
local terms energy: -62.229394
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -6.985
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: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -172.848925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.848925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.848925 (E_RNA)
where:
Base-Base interactions energy: -111.077
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.000
local terms energy: -61.771878
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -87.041394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.041394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.041394 (E_RNA)
where:
Base-Base interactions energy: -34.493
where: short stacking energy: -28.515
Base-Backbone interact. energy: -0.045
local terms energy: -52.503349
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -83.034663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.034663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.034663 (E_RNA)
where:
Base-Base interactions energy: -40.961
where: short stacking energy: -40.961
Base-Backbone interact. energy: 1.148
local terms energy: -43.221466
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -3.371
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -235.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.032886 (E_RNA)
where:
Base-Base interactions energy: -161.576
where: short stacking energy: -64.175
Base-Backbone interact. energy: -0.317
local terms energy: -73.140209
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -213.190990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190990 (E_RNA)
where:
Base-Base interactions energy: -135.103
where: short stacking energy: -77.698
Base-Backbone interact. energy: -0.071
local terms energy: -78.016892
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -21.425
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: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -225.700008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700008 (E_RNA)
where:
Base-Base interactions energy: -163.084
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.040
local terms energy: -62.576308
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -197.648233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.648233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.648233 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.087
local terms energy: -66.958383
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -187.071871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.071871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.071871 (E_RNA)
where:
Base-Base interactions energy: -118.169
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.061
local terms energy: -68.841895
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -14.144
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: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -180.029363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.029363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.029363 (E_RNA)
where:
Base-Base interactions energy: -115.162
where: short stacking energy: -58.736
Base-Backbone interact. energy: 0.131
local terms energy: -64.998025
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -175.451650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.451650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.451650 (E_RNA)
where:
Base-Base interactions energy: -107.935
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.007
local terms energy: -67.509636
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -12.719
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: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -164.325623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.325623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.325623 (E_RNA)
where:
Base-Base interactions energy: -105.727
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.070
local terms energy: -58.529213
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -10.667
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: 6
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -77.129772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.129772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.129772 (E_RNA)
where:
Base-Base interactions energy: -30.819
where: short stacking energy: -22.461
Base-Backbone interact. energy: 0.818
local terms energy: -47.128549
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -85.131928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.131928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.131928 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -37.342
Base-Backbone interact. energy: -0.002
local terms energy: -47.481782
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: 1.620
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -234.244749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.244749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.244749 (E_RNA)
where:
Base-Base interactions energy: -163.411
where: short stacking energy: -60.096
Base-Backbone interact. energy: 1.066
local terms energy: -71.899733
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -14.996
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: 90
Temperature: 0.950000
Total energy: -221.329525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329525 (E_RNA)
where:
Base-Base interactions energy: -150.240
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.002
local terms energy: -71.087452
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -232.372218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.372218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.372218 (E_RNA)
where:
Base-Base interactions energy: -163.704
where: short stacking energy: -58.013
Base-Backbone interact. energy: -1.035
local terms energy: -67.633320
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -196.705299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.705299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.705299 (E_RNA)
where:
Base-Base interactions energy: -132.150
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.126
local terms energy: -64.429904
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -10.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -197.104982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104982 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.247
local terms energy: -70.039048
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -184.963284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.963284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.963284 (E_RNA)
where:
Base-Base interactions energy: -117.605
where: short stacking energy: -61.137
Base-Backbone interact. energy: 0.012
local terms energy: -67.369956
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -179.384735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.384735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.384735 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -49.946
Base-Backbone interact. energy: -0.019
local terms energy: -67.939024
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -166.778496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.778496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.778496 (E_RNA)
where:
Base-Base interactions energy: -115.643
where: short stacking energy: -64.537
Base-Backbone interact. energy: -0.042
local terms energy: -51.093517
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -8.104
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: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -103.957662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.957662 (E_RNA)
where:
Base-Base interactions energy: -53.208
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.046
local terms energy: -50.703581
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -2.659
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -93.384607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.384607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.384607 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -38.136
Base-Backbone interact. energy: -1.092
local terms energy: -53.761200
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -234.710147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.710147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.710147 (E_RNA)
where:
Base-Base interactions energy: -165.242
where: short stacking energy: -64.036
Base-Backbone interact. energy: 0.474
local terms energy: -69.942679
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -232.425832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.425832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.425832 (E_RNA)
where:
Base-Base interactions energy: -162.670
where: short stacking energy: -58.772
Base-Backbone interact. energy: -0.272
local terms energy: -69.483641
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -204.058065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.058065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.058065 (E_RNA)
where:
Base-Base interactions energy: -131.715
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.021
local terms energy: -72.321421
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -19.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -190.759363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.759363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.759363 (E_RNA)
where:
Base-Base interactions energy: -119.246
where: short stacking energy: -51.729
Base-Backbone interact. energy: -0.112
local terms energy: -71.401634
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -174.173982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.173982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.173982 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -55.508
Base-Backbone interact. energy: 0.573
local terms energy: -60.263711
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -179.105966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.105966 (E_RNA)
where:
Base-Base interactions energy: -109.736
where: short stacking energy: -56.229
Base-Backbone interact. energy: -0.087
local terms energy: -69.283216
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -12.590
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: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -181.345634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.345634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.345634 (E_RNA)
where:
Base-Base interactions energy: -124.366
where: short stacking energy: -67.582
Base-Backbone interact. energy: 0.487
local terms energy: -57.466263
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -8.853
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: 8, replica: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -170.834238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.834238 (E_RNA)
where:
Base-Base interactions energy: -110.531
where: short stacking energy: -54.384
Base-Backbone interact. energy: -0.000
local terms energy: -60.303404
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -14.325
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -90.551128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.551128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.551128 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -33.889
Base-Backbone interact. energy: -0.446
local terms energy: -56.215870
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.608246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.608246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.608246 (E_RNA)
where:
Base-Base interactions energy: -29.047
where: short stacking energy: -29.147
Base-Backbone interact. energy: -0.209
local terms energy: -52.351680
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -236.987199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.987199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.987199 (E_RNA)
where:
Base-Base interactions energy: -166.882
where: short stacking energy: -67.016
Base-Backbone interact. energy: -1.235
local terms energy: -68.870391
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -13.728
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: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -228.543196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.543196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.543196 (E_RNA)
where:
Base-Base interactions energy: -161.294
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.256
local terms energy: -66.993269
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -15.678
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: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -213.618685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.618685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.618685 (E_RNA)
where:
Base-Base interactions energy: -136.087
where: short stacking energy: -67.063
Base-Backbone interact. energy: -0.020
local terms energy: -77.511892
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -194.697470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.697470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.697470 (E_RNA)
where:
Base-Base interactions energy: -129.215
where: short stacking energy: -64.834
Base-Backbone interact. energy: -0.007
local terms energy: -65.474874
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -176.986121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.986121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.986121 (E_RNA)
where:
Base-Base interactions energy: -109.680
where: short stacking energy: -58.291
Base-Backbone interact. energy: 2.512
local terms energy: -69.818387
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -164.392930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.392930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.392930 (E_RNA)
where:
Base-Base interactions energy: -100.489
where: short stacking energy: -41.013
Base-Backbone interact. energy: -0.016
local terms energy: -63.887787
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -169.423710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.423710 (E_RNA)
where:
Base-Base interactions energy: -105.738
where: short stacking energy: -42.304
Base-Backbone interact. energy: -0.178
local terms energy: -63.507237
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -8.489
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: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -174.129721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.129721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.129721 (E_RNA)
where:
Base-Base interactions energy: -114.187
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.812
local terms energy: -59.130683
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -9.338
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.040
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: 92
Temperature: 1.300000
Total energy: -106.367888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.367888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.367888 (E_RNA)
where:
Base-Base interactions energy: -50.841
where: short stacking energy: -49.753
Base-Backbone interact. energy: -0.050
local terms energy: -55.477133
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.721915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721915 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -17.369
Base-Backbone interact. energy: -0.171
local terms energy: -44.336103
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -7.017
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -3.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -238.844723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.844723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.844723 (E_RNA)
where:
Base-Base interactions energy: -165.831
where: short stacking energy: -67.840
Base-Backbone interact. energy: -1.235
local terms energy: -71.779144
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -15.759
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: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -232.650878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.650878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.650878 (E_RNA)
where:
Base-Base interactions energy: -163.903
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.824
local terms energy: -67.923421
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -203.213547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.213547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.213547 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.224
local terms energy: -73.562169
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -194.446572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.446572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.446572 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.471
local terms energy: -72.715370
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -14.558
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: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -175.932156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.932156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.932156 (E_RNA)
where:
Base-Base interactions energy: -105.970
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.007
local terms energy: -69.955605
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -169.789298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.789298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.789298 (E_RNA)
where:
Base-Base interactions energy: -106.245
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.036
local terms energy: -63.509099
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -169.223181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.223181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.223181 (E_RNA)
where:
Base-Base interactions energy: -117.885
where: short stacking energy: -57.406
Base-Backbone interact. energy: -0.478
local terms energy: -50.859389
where:
bonds (distance) C4'-P energy: -6.394
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -177.094265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.094265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.094265 (E_RNA)
where:
Base-Base interactions energy: -113.140
where: short stacking energy: -54.478
Base-Backbone interact. energy: -0.000
local terms energy: -63.953581
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -86.571113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571113 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -39.077
Base-Backbone interact. energy: -0.023
local terms energy: -45.492922
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -81.123180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.123180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.123180 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.457
local terms energy: -44.985558
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -240.730754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.730754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.730754 (E_RNA)
where:
Base-Base interactions energy: -167.051
where: short stacking energy: -69.428
Base-Backbone interact. energy: -0.198
local terms energy: -73.481792
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -237.930027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.930027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.930027 (E_RNA)
where:
Base-Base interactions energy: -164.339
where: short stacking energy: -66.795
Base-Backbone interact. energy: -0.551
local terms energy: -73.040642
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -11.572
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: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -193.368634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.368634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.368634 (E_RNA)
where:
Base-Base interactions energy: -121.366
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.310
local terms energy: -71.693464
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -211.668641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.668641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668641 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.159
local terms energy: -72.422892
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -14.161
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: 94
Temperature: 1.100000
Total energy: -182.398902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.398902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.398902 (E_RNA)
where:
Base-Base interactions energy: -113.595
where: short stacking energy: -59.814
Base-Backbone interact. energy: -0.839
local terms energy: -67.964260
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -13.991
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: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -182.895632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.895632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.895632 (E_RNA)
where:
Base-Base interactions energy: -116.255
where: short stacking energy: -59.612
Base-Backbone interact. energy: -0.001
local terms energy: -66.640436
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -182.185420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.185420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.185420 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.011
local terms energy: -64.550685
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.254
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: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -160.381982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.381982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.381982 (E_RNA)
where:
Base-Base interactions energy: -103.851
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.166
local terms energy: -56.364591
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -83.086166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086166 (E_RNA)
where:
Base-Base interactions energy: -26.940
where: short stacking energy: -19.139
Base-Backbone interact. energy: 0.372
local terms energy: -56.518816
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -77.774849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.774849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.774849 (E_RNA)
where:
Base-Base interactions energy: -28.102
where: short stacking energy: -27.743
Base-Backbone interact. energy: -0.185
local terms energy: -49.487897
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -4.243
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: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -245.932638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.932638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.932638 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -70.863
Base-Backbone interact. energy: -1.180
local terms energy: -73.590605
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -15.537
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: 95
Temperature: 0.950000
Total energy: -238.623769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.623769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.623769 (E_RNA)
where:
Base-Base interactions energy: -162.102
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.409
local terms energy: -76.112651
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -210.112351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.112351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112351 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.798
local terms energy: -67.596853
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -195.229796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.229796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229796 (E_RNA)
where:
Base-Base interactions energy: -127.206
where: short stacking energy: -66.030
Base-Backbone interact. energy: 0.042
local terms energy: -68.065426
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -16.696
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: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -172.531843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.531843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.531843 (E_RNA)
where:
Base-Base interactions energy: -115.179
where: short stacking energy: -59.146
Base-Backbone interact. energy: -0.025
local terms energy: -57.327295
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -10.313
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: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -177.773593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.773593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.773593 (E_RNA)
where:
Base-Base interactions energy: -112.849
where: short stacking energy: -56.397
Base-Backbone interact. energy: -2.426
local terms energy: -62.498657
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -182.733226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.733226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.733226 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.002
local terms energy: -64.972019
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -16.318
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: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -175.373320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.373320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.373320 (E_RNA)
where:
Base-Base interactions energy: -115.946
where: short stacking energy: -39.377
Base-Backbone interact. energy: 0.622
local terms energy: -60.049785
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -7.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -96.917135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.917135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.917135 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -31.510
Base-Backbone interact. energy: -0.045
local terms energy: -63.014577
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -8.788
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: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -88.840074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.840074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.840074 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -35.372
Base-Backbone interact. energy: -0.065
local terms energy: -53.402687
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -239.905552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.905552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.905552 (E_RNA)
where:
Base-Base interactions energy: -165.439
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.133
local terms energy: -74.333329
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -238.390432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.390432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.390432 (E_RNA)
where:
Base-Base interactions energy: -165.557
where: short stacking energy: -73.642
Base-Backbone interact. energy: -0.159
local terms energy: -72.674147
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -193.475970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.475970 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.236
local terms energy: -67.388476
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -186.247612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.247612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.247612 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -48.909
Base-Backbone interact. energy: -0.089
local terms energy: -70.813754
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -179.618871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.618871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.618871 (E_RNA)
where:
Base-Base interactions energy: -110.775
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.255
local terms energy: -68.589030
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.383
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: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -166.094975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.094975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.094975 (E_RNA)
where:
Base-Base interactions energy: -105.856
where: short stacking energy: -46.933
Base-Backbone interact. energy: -0.241
local terms energy: -59.997528
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -9.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -169.311461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.311461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.311461 (E_RNA)
where:
Base-Base interactions energy: -111.692
where: short stacking energy: -46.238
Base-Backbone interact. energy: -0.284
local terms energy: -57.335188
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -176.150595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.150595 (E_RNA)
where:
Base-Base interactions energy: -108.419
where: short stacking energy: -54.380
Base-Backbone interact. energy: 1.498
local terms energy: -69.229469
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -130.425601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.425601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.425601 (E_RNA)
where:
Base-Base interactions energy: -81.431
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.447
local terms energy: -48.547929
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -91.926092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.926092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.926092 (E_RNA)
where:
Base-Base interactions energy: -36.008
where: short stacking energy: -33.402
Base-Backbone interact. energy: -0.121
local terms energy: -55.796936
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -242.813747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.813747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.813747 (E_RNA)
where:
Base-Base interactions energy: -162.408
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.510
local terms energy: -79.895730
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -12.845
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: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -243.436291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.436291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.436291 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -67.862
Base-Backbone interact. energy: -1.265
local terms energy: -75.388273
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -203.544410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.544410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.544410 (E_RNA)
where:
Base-Base interactions energy: -132.458
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.003
local terms energy: -71.083352
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -18.335
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: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -184.965619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.965619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.965619 (E_RNA)
where:
Base-Base interactions energy: -120.167
where: short stacking energy: -67.992
Base-Backbone interact. energy: 1.165
local terms energy: -65.962861
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -199.401780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.401780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.401780 (E_RNA)
where:
Base-Base interactions energy: -131.194
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.230
local terms energy: -67.977868
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -172.239625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.239625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.239625 (E_RNA)
where:
Base-Base interactions energy: -111.828
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.118
local terms energy: -60.293803
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -9.292
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: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -185.163840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.163840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163840 (E_RNA)
where:
Base-Base interactions energy: -122.710
where: short stacking energy: -65.793
Base-Backbone interact. energy: 0.609
local terms energy: -63.062571
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -156.751899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.751899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.751899 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -41.653
Base-Backbone interact. energy: -0.199
local terms energy: -52.557886
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -5.455
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: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -163.929755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.929755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.929755 (E_RNA)
where:
Base-Base interactions energy: -104.605
where: short stacking energy: -48.000
Base-Backbone interact. energy: -0.166
local terms energy: -59.158465
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -100.426574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.426574 (E_RNA)
where:
Base-Base interactions energy: -50.110
where: short stacking energy: -29.288
Base-Backbone interact. energy: -1.445
local terms energy: -48.871478
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -9.953
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -249.557206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.557206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.557206 (E_RNA)
where:
Base-Base interactions energy: -174.845
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.905
local terms energy: -73.807759
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -8.748
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: 2, replica: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -233.342188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.342188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.342188 (E_RNA)
where:
Base-Base interactions energy: -162.759
where: short stacking energy: -70.398
Base-Backbone interact. energy: 0.728
local terms energy: -71.310808
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -188.807886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.807886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.807886 (E_RNA)
where:
Base-Base interactions energy: -118.444
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.048
local terms energy: -70.316323
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -197.900964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.900964 (E_RNA)
where:
Base-Base interactions energy: -139.610
where: short stacking energy: -64.543
Base-Backbone interact. energy: 0.334
local terms energy: -58.625730
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -172.125329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.125329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.125329 (E_RNA)
where:
Base-Base interactions energy: -117.836
where: short stacking energy: -54.783
Base-Backbone interact. energy: -0.277
local terms energy: -54.012290
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -186.855823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.855823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855823 (E_RNA)
where:
Base-Base interactions energy: -116.549
where: short stacking energy: -50.227
Base-Backbone interact. energy: 2.984
local terms energy: -73.290862
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -171.427357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.427357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.427357 (E_RNA)
where:
Base-Base interactions energy: -114.960
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.100
local terms energy: -56.368000
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -12.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -174.691639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.691639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.691639 (E_RNA)
where:
Base-Base interactions energy: -107.710
where: short stacking energy: -52.937
Base-Backbone interact. energy: -0.005
local terms energy: -66.976488
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -14.165
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: 98
Temperature: 1.300000
Total energy: -156.657563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.657563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.657563 (E_RNA)
where:
Base-Base interactions energy: -101.238
where: short stacking energy: -46.096
Base-Backbone interact. energy: 0.700
local terms energy: -56.120092
where:
bonds (distance) C4'-P energy: -7.267
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -90.395291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.395291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.395291 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -41.369
Base-Backbone interact. energy: -0.169
local terms energy: -48.856978
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -1.586
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -250.210712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.210712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.210712 (E_RNA)
where:
Base-Base interactions energy: -179.871
where: short stacking energy: -62.357
Base-Backbone interact. energy: -0.287
local terms energy: -70.053301
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -234.022014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.022014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.022014 (E_RNA)
where:
Base-Base interactions energy: -165.312
where: short stacking energy: -66.969
Base-Backbone interact. energy: -0.365
local terms energy: -68.344445
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.144
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: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -189.177929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.177929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.177929 (E_RNA)
where:
Base-Base interactions energy: -115.829
where: short stacking energy: -54.959
Base-Backbone interact. energy: -0.940
local terms energy: -72.408637
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -186.218223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.218223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.218223 (E_RNA)
where:
Base-Base interactions energy: -118.855
where: short stacking energy: -57.509
Base-Backbone interact. energy: -0.173
local terms energy: -67.190104
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -197.773137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.773137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.773137 (E_RNA)
where:
Base-Base interactions energy: -133.522
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.801
local terms energy: -63.450140
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -11.511
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: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -183.038768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.038768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.038768 (E_RNA)
where:
Base-Base interactions energy: -124.934
where: short stacking energy: -46.484
Base-Backbone interact. energy: 0.609
local terms energy: -58.713384
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -5.232
flat angles P-C4'-P energy: -13.410
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -170.132864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.132864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.132864 (E_RNA)
where:
Base-Base interactions energy: -108.082
where: short stacking energy: -46.708
Base-Backbone interact. energy: -0.299
local terms energy: -61.752169
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -7.302
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: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -170.850597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850597 (E_RNA)
where:
Base-Base interactions energy: -110.690
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.289
local terms energy: -59.871705
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -164.850858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.850858 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -52.174
Base-Backbone interact. energy: -0.085
local terms energy: -60.508314
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -83.850581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.850581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.850581 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.837
local terms energy: -42.730071
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -235.571520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.571520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.571520 (E_RNA)
where:
Base-Base interactions energy: -168.578
where: short stacking energy: -66.440
Base-Backbone interact. energy: 0.751
local terms energy: -67.743958
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -232.583099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.583099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.583099 (E_RNA)
where:
Base-Base interactions energy: -167.746
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.442
local terms energy: -64.394828
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -13.882
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: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -195.244236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.244236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.244236 (E_RNA)
where:
Base-Base interactions energy: -125.232
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.008
local terms energy: -70.004550
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -184.220719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.220719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.220719 (E_RNA)
where:
Base-Base interactions energy: -113.985
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.013
local terms energy: -70.222681
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -12.729
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: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -188.783306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.783306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.783306 (E_RNA)
where:
Base-Base interactions energy: -122.142
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.176
local terms energy: -66.465157
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -15.345
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: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -191.370998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370998 (E_RNA)
where:
Base-Base interactions energy: -130.260
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.615
local terms energy: -60.495159
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -173.167523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.167523 (E_RNA)
where:
Base-Base interactions energy: -109.778
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.129
local terms energy: -63.260371
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -164.879913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.879913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.879913 (E_RNA)
where:
Base-Base interactions energy: -112.737
where: short stacking energy: -47.763
Base-Backbone interact. energy: -0.096
local terms energy: -52.046877
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -10.806
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -165.565665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.565665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.565665 (E_RNA)
where:
Base-Base interactions energy: -103.287
where: short stacking energy: -49.525
Base-Backbone interact. energy: 1.077
local terms energy: -63.356369
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -77.564038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.564038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.564038 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -24.305
Base-Backbone interact. energy: -0.152
local terms energy: -49.761875
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.680
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -227.248765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.248765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.248765 (E_RNA)
where:
Base-Base interactions energy: -160.739
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.382
local terms energy: -66.128246
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -10.409
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: 101
Temperature: 0.950000
Total energy: -234.243439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.243439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.243439 (E_RNA)
where:
Base-Base interactions energy: -159.613
where: short stacking energy: -73.095
Base-Backbone interact. energy: -0.896
local terms energy: -73.734328
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -196.765567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.765567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.765567 (E_RNA)
where:
Base-Base interactions energy: -125.312
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.029
local terms energy: -71.423893
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -191.836483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.836483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.836483 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.004
local terms energy: -77.059669
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.926
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: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -185.061528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.061528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.061528 (E_RNA)
where:
Base-Base interactions energy: -120.396
where: short stacking energy: -63.007
Base-Backbone interact. energy: 0.991
local terms energy: -65.656961
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -183.430328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430328 (E_RNA)
where:
Base-Base interactions energy: -123.303
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.151
local terms energy: -59.975993
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -12.392
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: 101
Temperature: 1.200000
Total energy: -173.929667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.929667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.929667 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -49.155
Base-Backbone interact. energy: 0.257
local terms energy: -63.312467
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -8.711
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: 8, replica: 1
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -170.001077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.001077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.001077 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.031
local terms energy: -54.936912
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -175.631467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.631467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631467 (E_RNA)
where:
Base-Base interactions energy: -111.773
where: short stacking energy: -55.666
Base-Backbone interact. energy: 0.741
local terms energy: -64.600057
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -85.503981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.503981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.503981 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -32.829
Base-Backbone interact. energy: -0.159
local terms energy: -52.516065
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -4.787
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: 102
Temperature: 0.900000
Total energy: -243.230216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.230216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.230216 (E_RNA)
where:
Base-Base interactions energy: -169.855
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.502
local terms energy: -72.873292
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.031
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: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -236.399444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.399444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.399444 (E_RNA)
where:
Base-Base interactions energy: -160.767
where: short stacking energy: -68.853
Base-Backbone interact. energy: -0.379
local terms energy: -75.252988
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.206
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: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -198.625646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.625646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.625646 (E_RNA)
where:
Base-Base interactions energy: -129.658
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.250
local terms energy: -68.716706
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -17.253
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -186.248392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.248392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.248392 (E_RNA)
where:
Base-Base interactions energy: -123.254
where: short stacking energy: -62.751
Base-Backbone interact. energy: 0.047
local terms energy: -63.041288
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -11.651
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -185.884439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.884439 (E_RNA)
where:
Base-Base interactions energy: -117.144
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.057
local terms energy: -68.683965
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -177.353453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.353453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.353453 (E_RNA)
where:
Base-Base interactions energy: -111.953
where: short stacking energy: -61.441
Base-Backbone interact. energy: -0.027
local terms energy: -65.374115
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -13.614
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: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -165.877154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.877154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.877154 (E_RNA)
where:
Base-Base interactions energy: -111.183
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.268
local terms energy: -54.426754
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -179.783978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.783978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.783978 (E_RNA)
where:
Base-Base interactions energy: -114.708
where: short stacking energy: -60.797
Base-Backbone interact. energy: -0.139
local terms energy: -64.936863
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -6.634
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -167.608028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.608028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.608028 (E_RNA)
where:
Base-Base interactions energy: -107.878
where: short stacking energy: -57.009
Base-Backbone interact. energy: 1.370
local terms energy: -61.100127
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -13.611
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: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -92.863506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.863506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.863506 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -43.825
Base-Backbone interact. energy: -0.062
local terms energy: -48.975989
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -234.654171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.654171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.654171 (E_RNA)
where:
Base-Base interactions energy: -167.329
where: short stacking energy: -66.923
Base-Backbone interact. energy: -1.270
local terms energy: -66.054570
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -224.668360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.668360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.668360 (E_RNA)
where:
Base-Base interactions energy: -151.282
where: short stacking energy: -63.502
Base-Backbone interact. energy: -0.982
local terms energy: -72.404424
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -214.816508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.816508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.816508 (E_RNA)
where:
Base-Base interactions energy: -137.598
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.334
local terms energy: -76.885292
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -183.768300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.768300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.768300 (E_RNA)
where:
Base-Base interactions energy: -114.629
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.089
local terms energy: -69.050227
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -171.649055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.649055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.649055 (E_RNA)
where:
Base-Base interactions energy: -111.575
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.104
local terms energy: -59.970018
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -175.454514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.454514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.454514 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -54.513
Base-Backbone interact. energy: -0.001
local terms energy: -60.876067
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -16.296
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: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -165.946234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.946234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.946234 (E_RNA)
where:
Base-Base interactions energy: -101.001
where: short stacking energy: -53.083
Base-Backbone interact. energy: -0.872
local terms energy: -64.073591
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -162.539838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.539838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.539838 (E_RNA)
where:
Base-Base interactions energy: -99.882
where: short stacking energy: -42.690
Base-Backbone interact. energy: -0.029
local terms energy: -62.628683
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -157.006478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.006478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.006478 (E_RNA)
where:
Base-Base interactions energy: -100.586
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.125
local terms energy: -56.295331
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -103.688976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.688976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.688976 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -36.138
Base-Backbone interact. energy: -0.127
local terms energy: -53.477396
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -236.026081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.026081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.026081 (E_RNA)
where:
Base-Base interactions energy: -169.692
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.995
local terms energy: -65.339356
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -231.398149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.398149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.398149 (E_RNA)
where:
Base-Base interactions energy: -157.193
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.358
local terms energy: -73.846562
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -194.993126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.993126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.993126 (E_RNA)
where:
Base-Base interactions energy: -121.646
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.001
local terms energy: -73.346145
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -9.118
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: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -207.419183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.419183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.419183 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -68.251
Base-Backbone interact. energy: 0.085
local terms energy: -78.457717
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.931
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -182.640465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.640465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.640465 (E_RNA)
where:
Base-Base interactions energy: -121.164
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.771
local terms energy: -60.705627
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -173.193038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.193038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.193038 (E_RNA)
where:
Base-Base interactions energy: -111.987
where: short stacking energy: -47.877
Base-Backbone interact. energy: -0.540
local terms energy: -60.666184
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.457
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: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -177.133586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.133586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.133586 (E_RNA)
where:
Base-Base interactions energy: -110.855
where: short stacking energy: -49.044
Base-Backbone interact. energy: -0.750
local terms energy: -65.528251
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -169.536273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536273 (E_RNA)
where:
Base-Base interactions energy: -111.678
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.199
local terms energy: -57.658742
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -157.348256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.348256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.348256 (E_RNA)
where:
Base-Base interactions energy: -98.122
where: short stacking energy: -43.112
Base-Backbone interact. energy: -0.185
local terms energy: -59.041430
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -8.515
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: 10, replica: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -80.322101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.322101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.322101 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -33.203
Base-Backbone interact. energy: -0.172
local terms energy: -46.946842
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -1.646
tors. eta vs tors. theta energy: -6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -245.248091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.248091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.248091 (E_RNA)
where:
Base-Base interactions energy: -161.914
where: short stacking energy: -68.876
Base-Backbone interact. energy: -0.513
local terms energy: -82.820282
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -13.545
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -203.199015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.199015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.199015 (E_RNA)
where:
Base-Base interactions energy: -136.102
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.044
local terms energy: -67.052593
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -12.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -231.782668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.782668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.782668 (E_RNA)
where:
Base-Base interactions energy: -161.802
where: short stacking energy: -67.889
Base-Backbone interact. energy: 0.086
local terms energy: -70.067284
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -8.619
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: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -191.728061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728061 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.504
local terms energy: -72.953501
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -15.998
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: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -216.448458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.448458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.448458 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -60.875
Base-Backbone interact. energy: -1.089
local terms energy: -63.441902
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -183.613110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.613110 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -53.831
Base-Backbone interact. energy: 0.064
local terms energy: -57.619227
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -187.752340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.752340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.752340 (E_RNA)
where:
Base-Base interactions energy: -128.519
where: short stacking energy: -55.723
Base-Backbone interact. energy: -0.126
local terms energy: -59.107393
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -169.574705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.574705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.574705 (E_RNA)
where:
Base-Base interactions energy: -111.693
where: short stacking energy: -56.012
Base-Backbone interact. energy: 0.416
local terms energy: -58.298301
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -165.388371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.388371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.388371 (E_RNA)
where:
Base-Base interactions energy: -105.714
where: short stacking energy: -54.835
Base-Backbone interact. energy: 0.097
local terms energy: -59.771229
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -85.699701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.699701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.699701 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -36.331
Base-Backbone interact. energy: -0.388
local terms energy: -48.981274
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -5.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -243.129536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.129536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.129536 (E_RNA)
where:
Base-Base interactions energy: -170.879
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.961
local terms energy: -71.289313
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -15.464
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: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -202.325827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325827 (E_RNA)
where:
Base-Base interactions energy: -127.962
where: short stacking energy: -69.737
Base-Backbone interact. energy: -0.009
local terms energy: -74.355142
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -222.919907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919907 (E_RNA)
where:
Base-Base interactions energy: -154.554
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.281
local terms energy: -68.084189
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -180.419766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.419766 (E_RNA)
where:
Base-Base interactions energy: -112.837
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.196
local terms energy: -67.387285
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -220.902794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.902794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.902794 (E_RNA)
where:
Base-Base interactions energy: -150.808
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.946
local terms energy: -69.148281
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -187.186893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.186893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.186893 (E_RNA)
where:
Base-Base interactions energy: -118.879
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.219
local terms energy: -68.088257
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -176.727371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.727371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.727371 (E_RNA)
where:
Base-Base interactions energy: -117.202
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.325
local terms energy: -59.199720
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -13.727
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -180.577382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.577382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.577382 (E_RNA)
where:
Base-Base interactions energy: -120.005
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.026
local terms energy: -60.546655
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -9.346
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.699
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: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -178.406082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.406082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.406082 (E_RNA)
where:
Base-Base interactions energy: -110.798
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.367
local terms energy: -67.241502
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -11.686
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: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -76.288639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.288639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.288639 (E_RNA)
where:
Base-Base interactions energy: -20.924
where: short stacking energy: -20.023
Base-Backbone interact. energy: -0.068
local terms energy: -55.296912
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -236.104125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.104125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.104125 (E_RNA)
where:
Base-Base interactions energy: -162.837
where: short stacking energy: -60.849
Base-Backbone interact. energy: -0.423
local terms energy: -72.844290
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -241.160171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.160171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.160171 (E_RNA)
where:
Base-Base interactions energy: -164.985
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.288
local terms energy: -75.887136
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -202.886594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.886594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.886594 (E_RNA)
where:
Base-Base interactions energy: -128.510
where: short stacking energy: -62.765
Base-Backbone interact. energy: -0.063
local terms energy: -74.314010
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -15.119
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: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -223.739457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.739457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.739457 (E_RNA)
where:
Base-Base interactions energy: -153.835
where: short stacking energy: -61.859
Base-Backbone interact. energy: -1.189
local terms energy: -68.715189
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -177.044336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.044336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.044336 (E_RNA)
where:
Base-Base interactions energy: -111.530
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.065
local terms energy: -65.449311
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -177.289313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.289313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.289313 (E_RNA)
where:
Base-Base interactions energy: -114.151
where: short stacking energy: -50.363
Base-Backbone interact. energy: 1.908
local terms energy: -65.045993
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -12.222
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -178.715191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.715191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.715191 (E_RNA)
where:
Base-Base interactions energy: -122.750
where: short stacking energy: -63.365
Base-Backbone interact. energy: -0.012
local terms energy: -55.953313
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -178.140119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.140119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.140119 (E_RNA)
where:
Base-Base interactions energy: -117.767
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.205
local terms energy: -60.168708
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -170.953885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953885 (E_RNA)
where:
Base-Base interactions energy: -118.005
where: short stacking energy: -61.986
Base-Backbone interact. energy: 0.314
local terms energy: -53.263091
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -10.717
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: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -88.902359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.902359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.902359 (E_RNA)
where:
Base-Base interactions energy: -38.348
where: short stacking energy: -38.348
Base-Backbone interact. energy: -0.061
local terms energy: -50.493067
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -11.218
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -236.026438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.026438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.026438 (E_RNA)
where:
Base-Base interactions energy: -172.992
where: short stacking energy: -72.918
Base-Backbone interact. energy: 0.450
local terms energy: -63.484845
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -234.045020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.045020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.045020 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -72.108
Base-Backbone interact. energy: -0.045
local terms energy: -74.872425
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -212.694362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.694362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.694362 (E_RNA)
where:
Base-Base interactions energy: -147.134
where: short stacking energy: -65.413
Base-Backbone interact. energy: -0.538
local terms energy: -65.021961
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -16.900
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -185.017588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.017588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.017588 (E_RNA)
where:
Base-Base interactions energy: -119.392
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.121
local terms energy: -65.504160
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -189.430641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430641 (E_RNA)
where:
Base-Base interactions energy: -122.245
where: short stacking energy: -51.868
Base-Backbone interact. energy: -0.906
local terms energy: -66.280146
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -177.364423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.364423 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -54.604
Base-Backbone interact. energy: -1.632
local terms energy: -63.487078
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -6.489
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: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -166.113716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113716 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -49.179
Base-Backbone interact. energy: -0.732
local terms energy: -58.027855
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -163.783207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.783207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.783207 (E_RNA)
where:
Base-Base interactions energy: -99.471
where: short stacking energy: -50.728
Base-Backbone interact. energy: 0.187
local terms energy: -64.499035
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -162.813267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.813267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.813267 (E_RNA)
where:
Base-Base interactions energy: -112.709
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.247
local terms energy: -49.857266
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -11.888
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -81.507510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507510 (E_RNA)
where:
Base-Base interactions energy: -34.483
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.639
local terms energy: -46.385439
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -234.521234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.521234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.521234 (E_RNA)
where:
Base-Base interactions energy: -166.037
where: short stacking energy: -61.935
Base-Backbone interact. energy: -2.167
local terms energy: -66.317299
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -16.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -227.421003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.421003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.421003 (E_RNA)
where:
Base-Base interactions energy: -168.762
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.318
local terms energy: -58.340664
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -5.695
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -220.057224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.057224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.057224 (E_RNA)
where:
Base-Base interactions energy: -147.013
where: short stacking energy: -66.138
Base-Backbone interact. energy: 0.946
local terms energy: -73.990747
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -184.923083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.923083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.923083 (E_RNA)
where:
Base-Base interactions energy: -120.435
where: short stacking energy: -52.836
Base-Backbone interact. energy: -0.337
local terms energy: -64.150942
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -196.276603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.276603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.276603 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.158
local terms energy: -69.339993
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -181.209398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.209398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.209398 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.183
local terms energy: -61.915453
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -8.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -168.600172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.600172 (E_RNA)
where:
Base-Base interactions energy: -105.940
where: short stacking energy: -53.098
Base-Backbone interact. energy: -0.058
local terms energy: -62.602112
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -179.579291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.579291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.579291 (E_RNA)
where:
Base-Base interactions energy: -115.541
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.437
local terms energy: -63.601681
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -7.156
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -18.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -161.131828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.131828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.131828 (E_RNA)
where:
Base-Base interactions energy: -102.130
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.011
local terms energy: -58.990857
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.207
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: 109
Temperature: 1.350000
Total energy: -83.161991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161991 (E_RNA)
where:
Base-Base interactions energy: -34.646
where: short stacking energy: -34.646
Base-Backbone interact. energy: -0.760
local terms energy: -47.756025
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -237.652348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.652348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.652348 (E_RNA)
where:
Base-Base interactions energy: -166.993
where: short stacking energy: -65.678
Base-Backbone interact. energy: -0.601
local terms energy: -70.058590
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -13.730
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -209.718672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.718672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.718672 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -62.634
Base-Backbone interact. energy: -2.081
local terms energy: -60.679094
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -227.856390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.856390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.856390 (E_RNA)
where:
Base-Base interactions energy: -154.605
where: short stacking energy: -70.570
Base-Backbone interact. energy: -0.335
local terms energy: -72.916504
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -18.356
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: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -183.655446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.655446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.655446 (E_RNA)
where:
Base-Base interactions energy: -129.521
where: short stacking energy: -59.349
Base-Backbone interact. energy: -0.321
local terms energy: -53.812752
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -190.479034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.479034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.479034 (E_RNA)
where:
Base-Base interactions energy: -118.610
where: short stacking energy: -64.890
Base-Backbone interact. energy: -0.012
local terms energy: -71.857059
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -183.771516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.771516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.771516 (E_RNA)
where:
Base-Base interactions energy: -117.660
where: short stacking energy: -61.965
Base-Backbone interact. energy: -0.001
local terms energy: -66.109818
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -10.806
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: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -173.636202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.636202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.636202 (E_RNA)
where:
Base-Base interactions energy: -112.162
where: short stacking energy: -48.171
Base-Backbone interact. energy: -1.396
local terms energy: -60.077631
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -181.450907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.450907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.450907 (E_RNA)
where:
Base-Base interactions energy: -121.375
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.138
local terms energy: -59.937562
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -169.668608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.668608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.668608 (E_RNA)
where:
Base-Base interactions energy: -97.632
where: short stacking energy: -38.854
Base-Backbone interact. energy: 0.131
local terms energy: -72.167374
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -86.918668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918668 (E_RNA)
where:
Base-Base interactions energy: -39.382
where: short stacking energy: -33.776
Base-Backbone interact. energy: -0.070
local terms energy: -47.466350
where:
bonds (distance) C4'-P energy: -5.319
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -240.078689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.078689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.078689 (E_RNA)
where:
Base-Base interactions energy: -170.257
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.934
local terms energy: -68.888237
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -17.379
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -238.381294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.381294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.381294 (E_RNA)
where:
Base-Base interactions energy: -165.697
where: short stacking energy: -70.418
Base-Backbone interact. energy: -0.322
local terms energy: -72.362568
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -201.823859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.823859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.823859 (E_RNA)
where:
Base-Base interactions energy: -136.786
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.207
local terms energy: -64.830264
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -202.184646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.184646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.184646 (E_RNA)
where:
Base-Base interactions energy: -138.799
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.135
local terms energy: -63.250581
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.535
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: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -183.722831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.722831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.722831 (E_RNA)
where:
Base-Base interactions energy: -114.458
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.122
local terms energy: -69.143147
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -8.717
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: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -169.542197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.542197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.542197 (E_RNA)
where:
Base-Base interactions energy: -105.196
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.073
local terms energy: -64.273062
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -170.082224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.082224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.082224 (E_RNA)
where:
Base-Base interactions energy: -104.045
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.077
local terms energy: -65.960717
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -165.030144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.030144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.030144 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -43.522
Base-Backbone interact. energy: -1.325
local terms energy: -62.831360
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -9.718
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: 111
Temperature: 1.300000
Total energy: -158.515693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.515693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.515693 (E_RNA)
where:
Base-Base interactions energy: -93.583
where: short stacking energy: -41.294
Base-Backbone interact. energy: -0.003
local terms energy: -64.929708
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -79.530416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.530416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.530416 (E_RNA)
where:
Base-Base interactions energy: -42.430
where: short stacking energy: -30.510
Base-Backbone interact. energy: -0.715
local terms energy: -36.385447
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -8.073
flat angles P-C4'-P energy: -8.148
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: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -239.078027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.078027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.078027 (E_RNA)
where:
Base-Base interactions energy: -164.322
where: short stacking energy: -63.767
Base-Backbone interact. energy: -1.092
local terms energy: -73.663880
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -17.240
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: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -248.339528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.339528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.339528 (E_RNA)
where:
Base-Base interactions energy: -179.017
where: short stacking energy: -76.251
Base-Backbone interact. energy: -0.841
local terms energy: -68.481635
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -232.951731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.951731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.951731 (E_RNA)
where:
Base-Base interactions energy: -162.529
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.421
local terms energy: -70.001978
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.183
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: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -189.903396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.903396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.903396 (E_RNA)
where:
Base-Base interactions energy: -113.526
where: short stacking energy: -56.555
Base-Backbone interact. energy: -0.175
local terms energy: -76.202263
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -200.169574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.169574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.169574 (E_RNA)
where:
Base-Base interactions energy: -128.217
where: short stacking energy: -70.149
Base-Backbone interact. energy: -0.030
local terms energy: -71.923043
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -155.545964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.545964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.545964 (E_RNA)
where:
Base-Base interactions energy: -90.908
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.055
local terms energy: -64.582215
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -178.044945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.044945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.044945 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.001
local terms energy: -57.486588
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -166.613251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.613251 (E_RNA)
where:
Base-Base interactions energy: -107.317
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.115
local terms energy: -59.181886
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -159.020327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.020327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.020327 (E_RNA)
where:
Base-Base interactions energy: -105.549
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.050
local terms energy: -53.420465
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -7.452
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -89.337714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337714 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.082
local terms energy: -52.962888
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -237.338561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.338561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.338561 (E_RNA)
where:
Base-Base interactions energy: -165.746
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.585
local terms energy: -71.007428
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -234.148334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.148334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.148334 (E_RNA)
where:
Base-Base interactions energy: -165.597
where: short stacking energy: -67.210
Base-Backbone interact. energy: -1.237
local terms energy: -67.314465
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -242.484532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.484532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.484532 (E_RNA)
where:
Base-Base interactions energy: -173.109
where: short stacking energy: -69.174
Base-Backbone interact. energy: -0.168
local terms energy: -69.206967
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -15.866
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: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -194.877877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.877877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.877877 (E_RNA)
where:
Base-Base interactions energy: -125.437
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.181
local terms energy: -69.260136
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.471
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: 5, replica: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -189.315137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.315137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.315137 (E_RNA)
where:
Base-Base interactions energy: -121.221
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.718
local terms energy: -67.375748
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -177.889439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.889439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.889439 (E_RNA)
where:
Base-Base interactions energy: -114.150
where: short stacking energy: -57.430
Base-Backbone interact. energy: -0.193
local terms energy: -63.546680
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -171.306572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.306572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.306572 (E_RNA)
where:
Base-Base interactions energy: -115.213
where: short stacking energy: -50.498
Base-Backbone interact. energy: -0.177
local terms energy: -55.916781
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -12.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -166.734618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734618 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -49.552
Base-Backbone interact. energy: -0.546
local terms energy: -57.580196
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -3.242
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -165.310662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.310662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.310662 (E_RNA)
where:
Base-Base interactions energy: -104.779
where: short stacking energy: -52.117
Base-Backbone interact. energy: -0.801
local terms energy: -59.731045
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -12.552
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: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -119.817325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.817325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.817325 (E_RNA)
where:
Base-Base interactions energy: -67.425
where: short stacking energy: -35.879
Base-Backbone interact. energy: 0.695
local terms energy: -53.087486
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -246.848740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.848740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.848740 (E_RNA)
where:
Base-Base interactions energy: -170.509
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.702
local terms energy: -75.637234
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -237.419561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.419561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.419561 (E_RNA)
where:
Base-Base interactions energy: -167.144
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.199
local terms energy: -70.076017
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.120
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: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -233.474431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.474431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474431 (E_RNA)
where:
Base-Base interactions energy: -171.782
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.036
local terms energy: -61.656518
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -188.116528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.116528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.116528 (E_RNA)
where:
Base-Base interactions energy: -116.184
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.735
local terms energy: -71.197652
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -182.999985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.999985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.999985 (E_RNA)
where:
Base-Base interactions energy: -119.019
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.008
local terms energy: -63.972806
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -177.392626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.392626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.392626 (E_RNA)
where:
Base-Base interactions energy: -113.244
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.160
local terms energy: -63.988248
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -173.433570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.433570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.433570 (E_RNA)
where:
Base-Base interactions energy: -109.144
where: short stacking energy: -51.680
Base-Backbone interact. energy: 1.474
local terms energy: -65.763712
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -159.651878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.651878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.651878 (E_RNA)
where:
Base-Base interactions energy: -109.684
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.010
local terms energy: -49.957715
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -165.747700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.747700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.747700 (E_RNA)
where:
Base-Base interactions energy: -108.869
where: short stacking energy: -54.090
Base-Backbone interact. energy: 0.401
local terms energy: -57.280096
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -85.240100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240100 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.083
local terms energy: -52.393044
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -4.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -245.209716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.209716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.209716 (E_RNA)
where:
Base-Base interactions energy: -181.126
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.418
local terms energy: -63.665834
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -233.397312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.397312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.397312 (E_RNA)
where:
Base-Base interactions energy: -161.980
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.087
local terms energy: -71.330030
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -235.501263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.501263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.501263 (E_RNA)
where:
Base-Base interactions energy: -162.470
where: short stacking energy: -72.627
Base-Backbone interact. energy: 1.024
local terms energy: -74.055246
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -191.581616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.581616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.581616 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.855
local terms energy: -64.420437
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -186.967243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.967243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.967243 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -60.874
Base-Backbone interact. energy: 1.128
local terms energy: -66.583260
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -12.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -182.803459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.803459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803459 (E_RNA)
where:
Base-Base interactions energy: -121.221
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.104
local terms energy: -61.478676
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -161.539647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.539647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.539647 (E_RNA)
where:
Base-Base interactions energy: -99.098
where: short stacking energy: -48.765
Base-Backbone interact. energy: -0.114
local terms energy: -62.327361
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -174.495233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.495233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.495233 (E_RNA)
where:
Base-Base interactions energy: -108.994
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.470
local terms energy: -65.030879
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -4.885
tors. eta vs tors. theta energy: -16.900
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: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -160.866438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.866438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.866438 (E_RNA)
where:
Base-Base interactions energy: -102.285
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.446
local terms energy: -58.135397
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -8.993
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: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -81.910515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910515 (E_RNA)
where:
Base-Base interactions energy: -25.345
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.337
local terms energy: -56.228374
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -238.379756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.379756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.379756 (E_RNA)
where:
Base-Base interactions energy: -172.753
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.307
local terms energy: -65.319849
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -239.565250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.565250 (E_RNA)
where:
Base-Base interactions energy: -161.645
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.398
local terms energy: -77.521726
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -16.390
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: 5
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -238.747858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.747858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.747858 (E_RNA)
where:
Base-Base interactions energy: -164.968
where: short stacking energy: -70.936
Base-Backbone interact. energy: -0.520
local terms energy: -73.260601
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -197.395251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.395251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.395251 (E_RNA)
where:
Base-Base interactions energy: -123.429
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.006
local terms energy: -73.959824
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -17.503
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -187.927759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.927759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.927759 (E_RNA)
where:
Base-Base interactions energy: -122.661
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.350
local terms energy: -64.916940
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -3.272
tors. eta vs tors. theta energy: -18.290
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: 116
Temperature: 1.150000
Total energy: -180.390618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.390618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.390618 (E_RNA)
where:
Base-Base interactions energy: -114.225
where: short stacking energy: -56.746
Base-Backbone interact. energy: 1.111
local terms energy: -67.276841
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -169.606202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.606202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.606202 (E_RNA)
where:
Base-Base interactions energy: -112.365
where: short stacking energy: -57.744
Base-Backbone interact. energy: 1.998
local terms energy: -59.239243
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -13.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -155.851441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.851441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.851441 (E_RNA)
where:
Base-Base interactions energy: -100.204
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.094
local terms energy: -55.553979
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -79.636136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636136 (E_RNA)
where:
Base-Base interactions energy: -30.070
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.425
local terms energy: -49.141367
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -166.063309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.063309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.063309 (E_RNA)
where:
Base-Base interactions energy: -104.020
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.768
local terms energy: -61.274459
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -240.635986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.635986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.635986 (E_RNA)
where:
Base-Base interactions energy: -169.635
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.267
local terms energy: -70.733817
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -216.643798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.643798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.643798 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.074
local terms energy: -66.689234
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -225.520011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.520011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.520011 (E_RNA)
where:
Base-Base interactions energy: -160.116
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.965
local terms energy: -64.439925
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -13.741
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: 4, replica: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -195.529452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.529452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.529452 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -70.802
Base-Backbone interact. energy: -0.109
local terms energy: -68.550636
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -10.547
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: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -187.407502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.407502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.407502 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.084
local terms energy: -67.657287
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -12.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -193.842266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.842266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.842266 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.000
local terms energy: -74.841014
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -22.029
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: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -180.250775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.250775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.250775 (E_RNA)
where:
Base-Base interactions energy: -118.277
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.889
local terms energy: -61.084955
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -92.302897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.302897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.302897 (E_RNA)
where:
Base-Base interactions energy: -47.342
where: short stacking energy: -28.057
Base-Backbone interact. energy: -1.094
local terms energy: -43.866281
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -87.006161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.006161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.006161 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.129
local terms energy: -56.520464
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -8.128
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -4.885
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: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -161.959418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.959418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.959418 (E_RNA)
where:
Base-Base interactions energy: -100.744
where: short stacking energy: -47.505
Base-Backbone interact. energy: 0.068
local terms energy: -61.282536
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -250.987943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.987943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.987943 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.663
local terms energy: -74.855976
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -218.037702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.037702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.037702 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -70.476
Base-Backbone interact. energy: -0.555
local terms energy: -61.780689
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -216.911182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.911182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.911182 (E_RNA)
where:
Base-Base interactions energy: -151.854
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.054
local terms energy: -65.003273
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -187.714970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.714970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.714970 (E_RNA)
where:
Base-Base interactions energy: -123.168
where: short stacking energy: -59.412
Base-Backbone interact. energy: 0.048
local terms energy: -64.595148
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -10.583
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -191.982920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.982920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.982920 (E_RNA)
where:
Base-Base interactions energy: -125.253
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.003
local terms energy: -66.727435
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -9.054
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -15.484
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -175.806442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.806442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.806442 (E_RNA)
where:
Base-Base interactions energy: -113.054
where: short stacking energy: -57.260
Base-Backbone interact. energy: -0.437
local terms energy: -62.314687
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -10.446
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: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -171.725216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.725216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.725216 (E_RNA)
where:
Base-Base interactions energy: -113.970
where: short stacking energy: -53.158
Base-Backbone interact. energy: 0.938
local terms energy: -58.693253
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -88.893243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.893243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.893243 (E_RNA)
where:
Base-Base interactions energy: -44.290
where: short stacking energy: -39.843
Base-Backbone interact. energy: -0.130
local terms energy: -44.472452
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -4.498
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -160.194290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.194290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.194290 (E_RNA)
where:
Base-Base interactions energy: -111.441
where: short stacking energy: -51.289
Base-Backbone interact. energy: -0.118
local terms energy: -48.634931
where:
bonds (distance) C4'-P energy: -6.071
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -82.471118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.471118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.471118 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -31.608
Base-Backbone interact. energy: -0.132
local terms energy: -40.633746
where:
bonds (distance) C4'-P energy: -5.866
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -236.699075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.699075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.699075 (E_RNA)
where:
Base-Base interactions energy: -165.631
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.496
local terms energy: -70.571897
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -237.216951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.216951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.216951 (E_RNA)
where:
Base-Base interactions energy: -164.789
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.315
local terms energy: -72.113052
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -209.542986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.542986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.542986 (E_RNA)
where:
Base-Base interactions energy: -143.254
where: short stacking energy: -64.333
Base-Backbone interact. energy: -0.442
local terms energy: -65.847738
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -7.244
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -16.314
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: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -195.105978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.105978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.105978 (E_RNA)
where:
Base-Base interactions energy: -133.697
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.085
local terms energy: -61.323517
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -8.645
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: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -183.864334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.864334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864334 (E_RNA)
where:
Base-Base interactions energy: -124.981
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.081
local terms energy: -58.802523
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -198.114625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.114625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.114625 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -64.637
Base-Backbone interact. energy: -0.049
local terms energy: -72.139016
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -183.705294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.705294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.705294 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.012
local terms energy: -63.023796
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -162.922288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.922288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.922288 (E_RNA)
where:
Base-Base interactions energy: -102.704
where: short stacking energy: -53.036
Base-Backbone interact. energy: 1.091
local terms energy: -61.309480
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -9.320
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: 119
Temperature: 1.300000
Total energy: -75.674510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.674510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.674510 (E_RNA)
where:
Base-Base interactions energy: -25.031
where: short stacking energy: -25.031
Base-Backbone interact. energy: -0.234
local terms energy: -50.409611
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -93.574726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.574726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.574726 (E_RNA)
where:
Base-Base interactions energy: -46.326
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.110
local terms energy: -47.138272
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -6.545
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: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -241.522751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.522751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.522751 (E_RNA)
where:
Base-Base interactions energy: -167.995
where: short stacking energy: -69.803
Base-Backbone interact. energy: -0.163
local terms energy: -73.364444
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -15.409
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: 120
Temperature: 0.950000
Total energy: -235.062036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.062036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.062036 (E_RNA)
where:
Base-Base interactions energy: -159.563
where: short stacking energy: -61.947
Base-Backbone interact. energy: -2.449
local terms energy: -73.050454
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -15.516
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: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -198.797851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797851 (E_RNA)
where:
Base-Base interactions energy: -132.598
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.027
local terms energy: -66.173179
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -197.743286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.743286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743286 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -64.650
Base-Backbone interact. energy: -0.015
local terms energy: -62.666660
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -193.715965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.715965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.715965 (E_RNA)
where:
Base-Base interactions energy: -122.257
where: short stacking energy: -54.923
Base-Backbone interact. energy: 0.150
local terms energy: -71.609783
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -176.584308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.584308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.584308 (E_RNA)
where:
Base-Base interactions energy: -108.584
where: short stacking energy: -53.653
Base-Backbone interact. energy: -0.998
local terms energy: -67.002805
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -9.035
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: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -170.381742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.381742 (E_RNA)
where:
Base-Base interactions energy: -107.424
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.015
local terms energy: -62.942287
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -160.022400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.022400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.022400 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -45.714
Base-Backbone interact. energy: -0.076
local terms energy: -54.173279
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -89.304551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.304551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.304551 (E_RNA)
where:
Base-Base interactions energy: -38.024
where: short stacking energy: -36.399
Base-Backbone interact. energy: -0.035
local terms energy: -51.245755
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -3.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -79.329083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.329083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.329083 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -24.088
Base-Backbone interact. energy: -0.228
local terms energy: -53.384476
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -245.930836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.930836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.930836 (E_RNA)
where:
Base-Base interactions energy: -171.987
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.698
local terms energy: -73.245178
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -236.433865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.433865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.433865 (E_RNA)
where:
Base-Base interactions energy: -168.809
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.233
local terms energy: -67.391031
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -12.100
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -204.672611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.672611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.672611 (E_RNA)
where:
Base-Base interactions energy: -127.969
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.290
local terms energy: -76.413692
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -185.356151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.356151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.356151 (E_RNA)
where:
Base-Base interactions energy: -121.354
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.887
local terms energy: -63.114367
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -188.955151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.955151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.955151 (E_RNA)
where:
Base-Base interactions energy: -119.254
where: short stacking energy: -60.515
Base-Backbone interact. energy: 0.312
local terms energy: -70.013692
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -186.681551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.681551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.681551 (E_RNA)
where:
Base-Base interactions energy: -123.414
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.091
local terms energy: -63.176595
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -169.985558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.985558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.985558 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -61.545
Base-Backbone interact. energy: -0.307
local terms energy: -50.999122
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -7.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -163.626006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.626006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.626006 (E_RNA)
where:
Base-Base interactions energy: -101.425
where: short stacking energy: -48.347
Base-Backbone interact. energy: -0.334
local terms energy: -61.867432
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -89.650649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.650649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.650649 (E_RNA)
where:
Base-Base interactions energy: -42.360
where: short stacking energy: -25.142
Base-Backbone interact. energy: -0.152
local terms energy: -47.138124
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: 0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -82.050285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.050285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.050285 (E_RNA)
where:
Base-Base interactions energy: -41.762
where: short stacking energy: -37.248
Base-Backbone interact. energy: -0.142
local terms energy: -40.146909
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: 1.765
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -240.037509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.037509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.037509 (E_RNA)
where:
Base-Base interactions energy: -165.627
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.164
local terms energy: -74.246129
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -226.920703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.920703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.920703 (E_RNA)
where:
Base-Base interactions energy: -161.703
where: short stacking energy: -56.860
Base-Backbone interact. energy: -2.394
local terms energy: -62.824401
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -202.582797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.582797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.582797 (E_RNA)
where:
Base-Base interactions energy: -132.475
where: short stacking energy: -62.476
Base-Backbone interact. energy: -0.079
local terms energy: -70.028037
where:
bonds (distance) C4'-P energy: -16.482
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -187.032487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032487 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -57.466
Base-Backbone interact. energy: -0.055
local terms energy: -70.245089
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -192.399268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.399268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.399268 (E_RNA)
where:
Base-Base interactions energy: -129.305
where: short stacking energy: -66.863
Base-Backbone interact. energy: -0.641
local terms energy: -62.453418
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -181.500772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500772 (E_RNA)
where:
Base-Base interactions energy: -105.833
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.600
local terms energy: -75.068181
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -16.661
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: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -177.525069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.525069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.525069 (E_RNA)
where:
Base-Base interactions energy: -113.748
where: short stacking energy: -58.211
Base-Backbone interact. energy: -1.585
local terms energy: -62.192357
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -164.535572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.535572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535572 (E_RNA)
where:
Base-Base interactions energy: -105.623
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.800
local terms energy: -58.112658
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -87.076728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.076728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.076728 (E_RNA)
where:
Base-Base interactions energy: -39.263
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.008
local terms energy: -47.805362
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -85.288499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.288499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.288499 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.202
local terms energy: -54.616254
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -247.280622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.280622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.280622 (E_RNA)
where:
Base-Base interactions energy: -168.494
where: short stacking energy: -69.433
Base-Backbone interact. energy: -1.284
local terms energy: -77.503223
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -228.873430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.873430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.873430 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.081
local terms energy: -59.756417
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -208.585511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.585511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.585511 (E_RNA)
where:
Base-Base interactions energy: -142.598
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.004
local terms energy: -65.982859
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -191.763470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.763470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.763470 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -58.919
Base-Backbone interact. energy: -0.078
local terms energy: -65.083167
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -15.713
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -194.231686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.231686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.231686 (E_RNA)
where:
Base-Base interactions energy: -121.724
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.038
local terms energy: -72.470032
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -171.675325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.675325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.675325 (E_RNA)
where:
Base-Base interactions energy: -112.072
where: short stacking energy: -56.083
Base-Backbone interact. energy: -0.672
local terms energy: -58.930697
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -176.848342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.848342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.848342 (E_RNA)
where:
Base-Base interactions energy: -111.171
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.030
local terms energy: -65.647200
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -165.474003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.474003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.474003 (E_RNA)
where:
Base-Base interactions energy: -107.056
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.226
local terms energy: -58.192063
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.330677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.330677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.330677 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.054
local terms energy: -49.700914
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -0.352
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: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -76.127021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.127021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.127021 (E_RNA)
where:
Base-Base interactions energy: -26.603
where: short stacking energy: -23.653
Base-Backbone interact. energy: -0.238
local terms energy: -49.285236
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -241.939485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.939485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.939485 (E_RNA)
where:
Base-Base interactions energy: -174.052
where: short stacking energy: -69.866
Base-Backbone interact. energy: -1.465
local terms energy: -66.422520
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -11.576
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -8.537
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: 2, replica: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -236.914224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.914224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.914224 (E_RNA)
where:
Base-Base interactions energy: -169.862
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.218
local terms energy: -66.834136
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -208.857550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.857550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.857550 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -66.154
Base-Backbone interact. energy: -0.004
local terms energy: -68.768651
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -194.583230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583230 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -68.830
Base-Backbone interact. energy: -0.014
local terms energy: -61.695623
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -4.438
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: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.464641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464641 (E_RNA)
where:
Base-Base interactions energy: -123.785
where: short stacking energy: -73.388
Base-Backbone interact. energy: -0.040
local terms energy: -69.639717
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -16.941
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: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -175.866107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.866107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.866107 (E_RNA)
where:
Base-Base interactions energy: -113.053
where: short stacking energy: -55.511
Base-Backbone interact. energy: -0.276
local terms energy: -62.537808
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -168.961993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.961993 (E_RNA)
where:
Base-Base interactions energy: -113.158
where: short stacking energy: -47.566
Base-Backbone interact. energy: -0.042
local terms energy: -55.762848
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -168.875957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.875957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.875957 (E_RNA)
where:
Base-Base interactions energy: -104.535
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.054
local terms energy: -64.286893
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -90.005849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.005849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.005849 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.114
local terms energy: -49.175987
where:
bonds (distance) C4'-P energy: -5.190
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -100.211547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.211547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.211547 (E_RNA)
where:
Base-Base interactions energy: -50.926
where: short stacking energy: -36.472
Base-Backbone interact. energy: 0.387
local terms energy: -49.672676
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -232.376906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.376906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.376906 (E_RNA)
where:
Base-Base interactions energy: -163.400
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.070
local terms energy: -68.907139
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -228.335094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.335094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.335094 (E_RNA)
where:
Base-Base interactions energy: -161.053
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.108
local terms energy: -67.174118
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.951
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -204.275264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.275264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.275264 (E_RNA)
where:
Base-Base interactions energy: -128.678
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.579
local terms energy: -75.017487
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -196.826082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.826082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.826082 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -61.060
Base-Backbone interact. energy: 0.867
local terms energy: -75.005191
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -191.290991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.290991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290991 (E_RNA)
where:
Base-Base interactions energy: -121.342
where: short stacking energy: -57.205
Base-Backbone interact. energy: -0.889
local terms energy: -69.060046
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -13.083
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: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -178.038420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.038420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.038420 (E_RNA)
where:
Base-Base interactions energy: -111.501
where: short stacking energy: -57.467
Base-Backbone interact. energy: -0.624
local terms energy: -65.913042
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -172.104655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.104655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.104655 (E_RNA)
where:
Base-Base interactions energy: -109.006
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.065
local terms energy: -63.033704
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -162.880150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.880150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.880150 (E_RNA)
where:
Base-Base interactions energy: -106.679
where: short stacking energy: -46.195
Base-Backbone interact. energy: -0.018
local terms energy: -56.182477
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -94.859936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.859936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.859936 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.247
local terms energy: -55.047690
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -2.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -94.660949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.660949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.660949 (E_RNA)
where:
Base-Base interactions energy: -39.932
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.014
local terms energy: -54.715037
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -246.585916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.585916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.585916 (E_RNA)
where:
Base-Base interactions energy: -177.964
where: short stacking energy: -64.315
Base-Backbone interact. energy: -0.506
local terms energy: -68.116029
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -239.527990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.527990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.527990 (E_RNA)
where:
Base-Base interactions energy: -165.835
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.326
local terms energy: -73.367146
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -201.327661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.327661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.327661 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.016
local terms energy: -70.453711
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -21.461
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: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -186.540391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.540391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.540391 (E_RNA)
where:
Base-Base interactions energy: -128.119
where: short stacking energy: -60.784
Base-Backbone interact. energy: 0.256
local terms energy: -58.677459
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -201.882251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.882251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.882251 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.246
local terms energy: -66.511155
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -181.453965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.453965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.453965 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.179
local terms energy: -64.778801
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -165.199880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.199880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.199880 (E_RNA)
where:
Base-Base interactions energy: -100.488
where: short stacking energy: -46.972
Base-Backbone interact. energy: -0.072
local terms energy: -64.639795
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -163.678100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.678100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.678100 (E_RNA)
where:
Base-Base interactions energy: -108.028
where: short stacking energy: -51.338
Base-Backbone interact. energy: -0.193
local terms energy: -55.457210
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -84.995512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.995512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.995512 (E_RNA)
where:
Base-Base interactions energy: -29.165
where: short stacking energy: -28.577
Base-Backbone interact. energy: -0.173
local terms energy: -55.657635
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -6.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -91.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494853 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -33.978
Base-Backbone interact. energy: 1.263
local terms energy: -53.781399
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -247.722153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.722153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.722153 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.270
local terms energy: -67.702058
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -238.251196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.251196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.251196 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -70.170
Base-Backbone interact. energy: -0.830
local terms energy: -76.140050
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -195.581589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.581589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.581589 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.068
local terms energy: -63.901922
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -12.020
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: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -201.062553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.062553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.062553 (E_RNA)
where:
Base-Base interactions energy: -135.647
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.446
local terms energy: -64.969405
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -191.139311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.139311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.139311 (E_RNA)
where:
Base-Base interactions energy: -127.734
where: short stacking energy: -66.024
Base-Backbone interact. energy: 0.180
local terms energy: -63.584957
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -14.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -183.269871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.269871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.269871 (E_RNA)
where:
Base-Base interactions energy: -128.006
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.020
local terms energy: -55.244118
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -5.751
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -151.308917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.308917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.308917 (E_RNA)
where:
Base-Base interactions energy: -92.638
where: short stacking energy: -51.210
Base-Backbone interact. energy: -0.063
local terms energy: -58.607348
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -8.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -176.761766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.761766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.761766 (E_RNA)
where:
Base-Base interactions energy: -105.982
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.168
local terms energy: -70.611270
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -92.810733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.810733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.810733 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -34.798
Base-Backbone interact. energy: 0.072
local terms energy: -58.085377
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -95.185450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.185450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.185450 (E_RNA)
where:
Base-Base interactions energy: -42.681
where: short stacking energy: -42.681
Base-Backbone interact. energy: -0.009
local terms energy: -52.496170
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -241.848953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.848953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.848953 (E_RNA)
where:
Base-Base interactions energy: -170.614
where: short stacking energy: -60.564
Base-Backbone interact. energy: -2.104
local terms energy: -69.130516
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -221.745031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.745031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.745031 (E_RNA)
where:
Base-Base interactions energy: -157.291
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.312
local terms energy: -64.142450
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -220.930197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.930197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.930197 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.326
local terms energy: -72.698678
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.023
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: 4, replica: 7
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -186.082634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.082634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.082634 (E_RNA)
where:
Base-Base interactions energy: -114.874
where: short stacking energy: -61.908
Base-Backbone interact. energy: -0.015
local terms energy: -71.193760
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -195.983144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.983144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.983144 (E_RNA)
where:
Base-Base interactions energy: -126.262
where: short stacking energy: -62.778
Base-Backbone interact. energy: -1.090
local terms energy: -68.631781
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -183.031541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.031541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.031541 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.638
local terms energy: -67.430381
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -14.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -182.061686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.061686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.061686 (E_RNA)
where:
Base-Base interactions energy: -115.085
where: short stacking energy: -51.289
Base-Backbone interact. energy: -0.719
local terms energy: -66.257382
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -143.420454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.420454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.420454 (E_RNA)
where:
Base-Base interactions energy: -86.554
where: short stacking energy: -39.387
Base-Backbone interact. energy: -0.067
local terms energy: -56.799439
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -7.054
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: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -98.008056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.008056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.008056 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.922
local terms energy: -53.280603
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -85.148066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.148066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.148066 (E_RNA)
where:
Base-Base interactions energy: -39.199
where: short stacking energy: -39.199
Base-Backbone interact. energy: 0.306
local terms energy: -46.255759
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -5.987
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -238.049804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.049804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.049804 (E_RNA)
where:
Base-Base interactions energy: -160.033
where: short stacking energy: -65.140
Base-Backbone interact. energy: -1.140
local terms energy: -76.876461
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -229.152272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.152272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.152272 (E_RNA)
where:
Base-Base interactions energy: -160.990
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.166
local terms energy: -67.996379
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -221.706560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.706560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.706560 (E_RNA)
where:
Base-Base interactions energy: -150.284
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.095
local terms energy: -71.327696
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -196.298468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.298468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298468 (E_RNA)
where:
Base-Base interactions energy: -126.279
where: short stacking energy: -51.307
Base-Backbone interact. energy: -1.311
local terms energy: -68.708316
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -188.131657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.131657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.131657 (E_RNA)
where:
Base-Base interactions energy: -129.272
where: short stacking energy: -71.458
Base-Backbone interact. energy: -0.184
local terms energy: -58.676457
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -182.792307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.792307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.792307 (E_RNA)
where:
Base-Base interactions energy: -118.898
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.280
local terms energy: -63.614373
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -3.070
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -181.448545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.448545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.448545 (E_RNA)
where:
Base-Base interactions energy: -115.467
where: short stacking energy: -60.100
Base-Backbone interact. energy: 0.241
local terms energy: -66.222693
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -94.712823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.712823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.712823 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.082
local terms energy: -49.247565
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -9.369
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -153.802216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.802216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.802216 (E_RNA)
where:
Base-Base interactions energy: -95.210
where: short stacking energy: -52.194
Base-Backbone interact. energy: -0.132
local terms energy: -58.460148
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -105.447446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.447446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.447446 (E_RNA)
where:
Base-Base interactions energy: -55.208
where: short stacking energy: -32.961
Base-Backbone interact. energy: -0.485
local terms energy: -49.754703
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: 0.497
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -243.460252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.460252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.460252 (E_RNA)
where:
Base-Base interactions energy: -173.599
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.892
local terms energy: -68.969738
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -240.459037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.459037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.459037 (E_RNA)
where:
Base-Base interactions energy: -164.461
where: short stacking energy: -65.966
Base-Backbone interact. energy: 0.150
local terms energy: -76.147453
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -223.271211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271211 (E_RNA)
where:
Base-Base interactions energy: -161.483
where: short stacking energy: -60.346
Base-Backbone interact. energy: -0.174
local terms energy: -61.614061
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -187.445386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.445386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.445386 (E_RNA)
where:
Base-Base interactions energy: -118.353
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.085
local terms energy: -69.006864
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -198.453139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.453139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.453139 (E_RNA)
where:
Base-Base interactions energy: -132.376
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.642
local terms energy: -65.435184
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -182.817830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.817830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.817830 (E_RNA)
where:
Base-Base interactions energy: -117.537
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.081
local terms energy: -65.199399
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -99.591066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.591066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.591066 (E_RNA)
where:
Base-Base interactions energy: -36.792
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.103
local terms energy: -62.696021
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -168.656502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.656502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.656502 (E_RNA)
where:
Base-Base interactions energy: -105.613
where: short stacking energy: -56.222
Base-Backbone interact. energy: 2.739
local terms energy: -65.781802
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -146.593834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.593834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.593834 (E_RNA)
where:
Base-Base interactions energy: -90.744
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.353
local terms energy: -55.496286
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -78.110404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.110404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.110404 (E_RNA)
where:
Base-Base interactions energy: -25.119
where: short stacking energy: -24.147
Base-Backbone interact. energy: 0.203
local terms energy: -53.194180
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -234.936527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.936527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.936527 (E_RNA)
where:
Base-Base interactions energy: -164.917
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.309
local terms energy: -69.710711
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -15.337
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: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -227.765113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.765113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.765113 (E_RNA)
where:
Base-Base interactions energy: -154.742
where: short stacking energy: -74.533
Base-Backbone interact. energy: -0.322
local terms energy: -72.701156
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -233.155173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.155173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.155173 (E_RNA)
where:
Base-Base interactions energy: -158.566
where: short stacking energy: -70.651
Base-Backbone interact. energy: -0.355
local terms energy: -74.234309
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -194.696011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.696011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.696011 (E_RNA)
where:
Base-Base interactions energy: -129.228
where: short stacking energy: -55.896
Base-Backbone interact. energy: -0.885
local terms energy: -64.582382
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -9.324
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: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -182.642527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.642527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.642527 (E_RNA)
where:
Base-Base interactions energy: -116.389
where: short stacking energy: -53.302
Base-Backbone interact. energy: 1.299
local terms energy: -67.552597
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -179.425064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.425064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.425064 (E_RNA)
where:
Base-Base interactions energy: -109.077
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.191
local terms energy: -70.157353
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -97.238057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.238057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.238057 (E_RNA)
where:
Base-Base interactions energy: -44.295
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.001
local terms energy: -52.942008
where:
bonds (distance) C4'-P energy: -6.459
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -6.891
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: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -178.097554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.097554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.097554 (E_RNA)
where:
Base-Base interactions energy: -115.054
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.387
local terms energy: -62.655857
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -162.282320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.282320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.282320 (E_RNA)
where:
Base-Base interactions energy: -99.123
where: short stacking energy: -49.094
Base-Backbone interact. energy: -0.093
local terms energy: -63.065668
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -12.423
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -94.574690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.574690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.574690 (E_RNA)
where:
Base-Base interactions energy: -38.807
where: short stacking energy: -38.807
Base-Backbone interact. energy: -1.001
local terms energy: -54.767207
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -8.627
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: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -234.534506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.534506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.534506 (E_RNA)
where:
Base-Base interactions energy: -166.653
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.057
local terms energy: -67.824400
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -227.285711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285711 (E_RNA)
where:
Base-Base interactions energy: -162.171
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.835
local terms energy: -64.279736
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -10.482
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: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -228.832457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.832457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.832457 (E_RNA)
where:
Base-Base interactions energy: -159.224
where: short stacking energy: -77.390
Base-Backbone interact. energy: -0.958
local terms energy: -68.651130
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -195.368595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.368595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.368595 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.156
local terms energy: -68.523236
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -14.242
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: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -173.769845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.769845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.769845 (E_RNA)
where:
Base-Base interactions energy: -110.210
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.593
local terms energy: -62.967036
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -5.793
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -13.069
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: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -181.933604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.933604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.933604 (E_RNA)
where:
Base-Base interactions energy: -119.211
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.096
local terms energy: -62.626376
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -178.680690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.680690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.680690 (E_RNA)
where:
Base-Base interactions energy: -116.088
where: short stacking energy: -56.938
Base-Backbone interact. energy: -0.045
local terms energy: -62.546746
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -15.543
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: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -86.140977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140977 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -33.055
Base-Backbone interact. energy: -0.094
local terms energy: -52.991867
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -171.596000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.596000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.596000 (E_RNA)
where:
Base-Base interactions energy: -106.847
where: short stacking energy: -49.332
Base-Backbone interact. energy: -0.100
local terms energy: -64.649297
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -92.966192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.966192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.966192 (E_RNA)
where:
Base-Base interactions energy: -56.708
where: short stacking energy: -39.493
Base-Backbone interact. energy: -0.129
local terms energy: -36.129261
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -8.194
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -245.171925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.171925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.171925 (E_RNA)
where:
Base-Base interactions energy: -172.162
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.185
local terms energy: -72.824817
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -232.563532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.563532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.563532 (E_RNA)
where:
Base-Base interactions energy: -158.687
where: short stacking energy: -66.308
Base-Backbone interact. energy: -1.410
local terms energy: -72.465874
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -231.468153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.468153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.468153 (E_RNA)
where:
Base-Base interactions energy: -164.685
where: short stacking energy: -74.075
Base-Backbone interact. energy: 0.183
local terms energy: -66.966380
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -192.215396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.215396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.215396 (E_RNA)
where:
Base-Base interactions energy: -122.172
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.334
local terms energy: -69.708982
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -182.960968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.960968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.960968 (E_RNA)
where:
Base-Base interactions energy: -118.528
where: short stacking energy: -55.576
Base-Backbone interact. energy: 0.229
local terms energy: -64.661554
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -187.393835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.393835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.393835 (E_RNA)
where:
Base-Base interactions energy: -121.218
where: short stacking energy: -56.316
Base-Backbone interact. energy: 0.221
local terms energy: -66.397046
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -12.201
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -168.575457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.575457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.575457 (E_RNA)
where:
Base-Base interactions energy: -111.934
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.135
local terms energy: -56.506344
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -152.750574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.750574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.750574 (E_RNA)
where:
Base-Base interactions energy: -98.162
where: short stacking energy: -44.740
Base-Backbone interact. energy: 0.421
local terms energy: -55.009321
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -90.417133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.417133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.417133 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -27.872
Base-Backbone interact. energy: -0.107
local terms energy: -45.185535
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -77.118481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.118481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.118481 (E_RNA)
where:
Base-Base interactions energy: -24.656
where: short stacking energy: -24.656
Base-Backbone interact. energy: -0.154
local terms energy: -52.308505
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -4.087
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -230.581941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.581941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581941 (E_RNA)
where:
Base-Base interactions energy: -161.011
where: short stacking energy: -69.169
Base-Backbone interact. energy: 2.787
local terms energy: -72.358161
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -234.365832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365832 (E_RNA)
where:
Base-Base interactions energy: -164.282
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.100
local terms energy: -69.983806
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -232.210235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.210235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.210235 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.421
local terms energy: -67.155879
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -191.594773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.594773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.594773 (E_RNA)
where:
Base-Base interactions energy: -123.561
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.080
local terms energy: -67.953798
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -175.445152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445152 (E_RNA)
where:
Base-Base interactions energy: -110.488
where: short stacking energy: -57.626
Base-Backbone interact. energy: -0.141
local terms energy: -64.816026
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -10.946
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: 134
Temperature: 1.150000
Total energy: -183.175199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.175199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.175199 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -57.350
Base-Backbone interact. energy: 0.812
local terms energy: -65.413497
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -170.281545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.281545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.281545 (E_RNA)
where:
Base-Base interactions energy: -102.015
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.391
local terms energy: -67.875885
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -15.767
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: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -167.212894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.212894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.212894 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.012
local terms energy: -60.684192
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.607743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.607743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.607743 (E_RNA)
where:
Base-Base interactions energy: -28.444
where: short stacking energy: -25.480
Base-Backbone interact. energy: -0.293
local terms energy: -51.871217
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -3.648
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: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -84.132746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.132746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.132746 (E_RNA)
where:
Base-Base interactions energy: -46.171
where: short stacking energy: -27.512
Base-Backbone interact. energy: 2.555
local terms energy: -40.516746
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -239.394617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.394617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.394617 (E_RNA)
where:
Base-Base interactions energy: -166.196
where: short stacking energy: -73.566
Base-Backbone interact. energy: -0.296
local terms energy: -72.902418
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -8.946
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: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -235.391998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.391998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.391998 (E_RNA)
where:
Base-Base interactions energy: -166.243
where: short stacking energy: -67.276
Base-Backbone interact. energy: -0.181
local terms energy: -68.968900
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -239.327042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.327042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.327042 (E_RNA)
where:
Base-Base interactions energy: -175.195
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.163
local terms energy: -63.968981
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -188.592425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.592425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.592425 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -65.543
Base-Backbone interact. energy: -0.213
local terms energy: -70.697847
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -14.329
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: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -181.930571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.930571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930571 (E_RNA)
where:
Base-Base interactions energy: -110.038
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.049
local terms energy: -71.843604
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -176.944473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.944473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.944473 (E_RNA)
where:
Base-Base interactions energy: -117.907
where: short stacking energy: -57.270
Base-Backbone interact. energy: -0.024
local terms energy: -59.012912
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -157.535475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.535475 (E_RNA)
where:
Base-Base interactions energy: -101.067
where: short stacking energy: -55.603
Base-Backbone interact. energy: -0.189
local terms energy: -56.279259
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -160.812583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.812583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.812583 (E_RNA)
where:
Base-Base interactions energy: -106.035
where: short stacking energy: -40.414
Base-Backbone interact. energy: -0.352
local terms energy: -54.425595
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -10.273
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.543
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: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -91.763441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.763441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.763441 (E_RNA)
where:
Base-Base interactions energy: -50.949
where: short stacking energy: -30.290
Base-Backbone interact. energy: 1.097
local terms energy: -41.911489
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -80.162606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162606 (E_RNA)
where:
Base-Base interactions energy: -29.990
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.359
local terms energy: -49.814127
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -234.161167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.161167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.161167 (E_RNA)
where:
Base-Base interactions energy: -158.849
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.922
local terms energy: -74.389987
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -233.133629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.133629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.133629 (E_RNA)
where:
Base-Base interactions energy: -159.799
where: short stacking energy: -65.024
Base-Backbone interact. energy: -0.959
local terms energy: -72.375619
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -18.070
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: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -226.722561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.722561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722561 (E_RNA)
where:
Base-Base interactions energy: -155.271
where: short stacking energy: -66.564
Base-Backbone interact. energy: -0.323
local terms energy: -71.129190
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -193.382619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.382619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.382619 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.113
local terms energy: -66.520929
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -12.336
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: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -189.547968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.547968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.547968 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -62.715
Base-Backbone interact. energy: -0.001
local terms energy: -63.869437
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -173.739470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.739470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.739470 (E_RNA)
where:
Base-Base interactions energy: -109.184
where: short stacking energy: -49.556
Base-Backbone interact. energy: -0.027
local terms energy: -64.528300
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -11.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -173.110410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.110410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.110410 (E_RNA)
where:
Base-Base interactions energy: -108.550
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.448
local terms energy: -64.112221
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -12.724
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: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -170.110933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.110933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.110933 (E_RNA)
where:
Base-Base interactions energy: -110.690
where: short stacking energy: -51.315
Base-Backbone interact. energy: -0.091
local terms energy: -59.330794
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -10.207
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: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -86.804383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804383 (E_RNA)
where:
Base-Base interactions energy: -55.987
where: short stacking energy: -30.558
Base-Backbone interact. energy: 1.146
local terms energy: -31.963301
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -5.859
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -0.555
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -71.711863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.711863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.711863 (E_RNA)
where:
Base-Base interactions energy: -18.096
where: short stacking energy: -18.096
Base-Backbone interact. energy: -0.526
local terms energy: -53.089332
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -235.946682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.946682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.946682 (E_RNA)
where:
Base-Base interactions energy: -161.886
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.881
local terms energy: -73.178983
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -236.167631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.167631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167631 (E_RNA)
where:
Base-Base interactions energy: -169.050
where: short stacking energy: -67.047
Base-Backbone interact. energy: 0.035
local terms energy: -67.153000
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -10.143
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -219.012720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.012720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012720 (E_RNA)
where:
Base-Base interactions energy: -149.422
where: short stacking energy: -67.962
Base-Backbone interact. energy: -0.216
local terms energy: -69.374666
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -187.258519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.258519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.258519 (E_RNA)
where:
Base-Base interactions energy: -122.453
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.041
local terms energy: -64.763687
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -12.240
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: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -189.029617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029617 (E_RNA)
where:
Base-Base interactions energy: -127.697
where: short stacking energy: -53.947
Base-Backbone interact. energy: -0.438
local terms energy: -60.895402
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -5.341
tors. eta vs tors. theta energy: -10.155
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -181.296375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.296375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.296375 (E_RNA)
where:
Base-Base interactions energy: -118.445
where: short stacking energy: -56.098
Base-Backbone interact. energy: -0.010
local terms energy: -62.841702
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -177.962634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.962634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.962634 (E_RNA)
where:
Base-Base interactions energy: -110.414
where: short stacking energy: -50.527
Base-Backbone interact. energy: -0.246
local terms energy: -67.303416
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -172.587332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.587332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.587332 (E_RNA)
where:
Base-Base interactions energy: -112.603
where: short stacking energy: -50.835
Base-Backbone interact. energy: -0.140
local terms energy: -59.844049
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -94.781487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.781487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.781487 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.198
local terms energy: -50.171594
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -84.676617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676617 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -32.275
Base-Backbone interact. energy: -0.017
local terms energy: -50.341599
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -6.536
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: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -240.991770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.991770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.991770 (E_RNA)
where:
Base-Base interactions energy: -171.166
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.809
local terms energy: -69.016790
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -234.164586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.164586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.164586 (E_RNA)
where:
Base-Base interactions energy: -163.829
where: short stacking energy: -70.199
Base-Backbone interact. energy: -0.652
local terms energy: -69.682802
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -198.120145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120145 (E_RNA)
where:
Base-Base interactions energy: -128.512
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.049
local terms energy: -69.559014
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -216.966392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.966392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.966392 (E_RNA)
where:
Base-Base interactions energy: -151.600
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.340
local terms energy: -65.026501
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -195.929648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.929648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.929648 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -68.104
Base-Backbone interact. energy: -0.007
local terms energy: -63.048297
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -179.141992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.141992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.141992 (E_RNA)
where:
Base-Base interactions energy: -115.761
where: short stacking energy: -51.485
Base-Backbone interact. energy: -0.253
local terms energy: -63.127563
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -163.941420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.941420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.941420 (E_RNA)
where:
Base-Base interactions energy: -107.153
where: short stacking energy: -56.360
Base-Backbone interact. energy: -0.025
local terms energy: -56.762759
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -169.764085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.764085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.764085 (E_RNA)
where:
Base-Base interactions energy: -105.879
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.405
local terms energy: -63.480255
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -102.433190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433190 (E_RNA)
where:
Base-Base interactions energy: -45.281
where: short stacking energy: -45.085
Base-Backbone interact. energy: -0.012
local terms energy: -57.140038
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -81.748962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.748962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.748962 (E_RNA)
where:
Base-Base interactions energy: -20.834
where: short stacking energy: -24.834
Base-Backbone interact. energy: -0.161
local terms energy: -60.753753
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -2.269
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: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -244.553744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.553744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.553744 (E_RNA)
where:
Base-Base interactions energy: -170.414
where: short stacking energy: -76.399
Base-Backbone interact. energy: -0.269
local terms energy: -73.870669
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -236.686095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.686095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.686095 (E_RNA)
where:
Base-Base interactions energy: -164.976
where: short stacking energy: -71.816
Base-Backbone interact. energy: -0.014
local terms energy: -71.695597
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.050
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: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -209.069864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.069864 (E_RNA)
where:
Base-Base interactions energy: -137.758
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.003
local terms energy: -71.308719
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -222.080060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.080060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.080060 (E_RNA)
where:
Base-Base interactions energy: -157.244
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.154
local terms energy: -64.682603
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -192.397694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.397694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.397694 (E_RNA)
where:
Base-Base interactions energy: -125.023
where: short stacking energy: -63.815
Base-Backbone interact. energy: -0.044
local terms energy: -67.330380
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -183.092759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.092759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.092759 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.108
local terms energy: -66.350049
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -12.127
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -183.973137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.973137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.973137 (E_RNA)
where:
Base-Base interactions energy: -111.664
where: short stacking energy: -57.237
Base-Backbone interact. energy: -0.149
local terms energy: -72.160692
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -13.983
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: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -182.578931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.578931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.578931 (E_RNA)
where:
Base-Base interactions energy: -122.940
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.147
local terms energy: -59.491290
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -92.499650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.499650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.499650 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.131
local terms energy: -52.554506
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -73.785049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.785049 (E_RNA)
where:
Base-Base interactions energy: -19.416
where: short stacking energy: -17.024
Base-Backbone interact. energy: 0.368
local terms energy: -54.736392
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -243.906599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.906599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.906599 (E_RNA)
where:
Base-Base interactions energy: -166.818
where: short stacking energy: -71.180
Base-Backbone interact. energy: -0.362
local terms energy: -76.727181
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -234.221138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.221138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.221138 (E_RNA)
where:
Base-Base interactions energy: -162.708
where: short stacking energy: -74.542
Base-Backbone interact. energy: -0.748
local terms energy: -70.765035
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -199.600544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.600544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.600544 (E_RNA)
where:
Base-Base interactions energy: -131.763
where: short stacking energy: -58.431
Base-Backbone interact. energy: 0.567
local terms energy: -68.404876
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -14.054
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: 4, replica: 3
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -195.248199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.248199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.248199 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.011
local terms energy: -72.394175
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -190.406831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.406831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.406831 (E_RNA)
where:
Base-Base interactions energy: -127.633
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.355
local terms energy: -62.419016
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -13.060
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: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -178.024968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.024968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.024968 (E_RNA)
where:
Base-Base interactions energy: -121.437
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.208
local terms energy: -56.380714
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -10.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -177.900664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.900664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.900664 (E_RNA)
where:
Base-Base interactions energy: -111.707
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.713
local terms energy: -65.480853
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -11.779
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: 8, replica: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -160.963036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.963036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.963036 (E_RNA)
where:
Base-Base interactions energy: -110.795
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.460
local terms energy: -49.708094
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.046
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -86.520470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.520470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.520470 (E_RNA)
where:
Base-Base interactions energy: -30.504
where: short stacking energy: -21.935
Base-Backbone interact. energy: -1.104
local terms energy: -54.911905
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -82.862086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.862086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.862086 (E_RNA)
where:
Base-Base interactions energy: -32.720
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.115
local terms energy: -50.027057
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -244.021039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.021039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.021039 (E_RNA)
where:
Base-Base interactions energy: -173.946
where: short stacking energy: -74.122
Base-Backbone interact. energy: -0.281
local terms energy: -69.793257
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -229.245284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.245284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.245284 (E_RNA)
where:
Base-Base interactions energy: -158.672
where: short stacking energy: -71.768
Base-Backbone interact. energy: 0.148
local terms energy: -70.721338
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -215.086703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.086703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.086703 (E_RNA)
where:
Base-Base interactions energy: -153.639
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.346
local terms energy: -61.102420
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -12.580
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -195.065020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.065020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.065020 (E_RNA)
where:
Base-Base interactions energy: -129.400
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.017
local terms energy: -65.647977
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -188.667381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.667381 (E_RNA)
where:
Base-Base interactions energy: -125.703
where: short stacking energy: -69.125
Base-Backbone interact. energy: -0.001
local terms energy: -62.963621
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -191.444654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.444654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.444654 (E_RNA)
where:
Base-Base interactions energy: -122.776
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.048
local terms energy: -68.620586
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -180.893185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.893185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.893185 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.059
local terms energy: -61.441228
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.069
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: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -168.699067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.699067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.699067 (E_RNA)
where:
Base-Base interactions energy: -105.221
where: short stacking energy: -53.659
Base-Backbone interact. energy: -0.462
local terms energy: -63.015845
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -83.633838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.633838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.633838 (E_RNA)
where:
Base-Base interactions energy: -29.156
where: short stacking energy: -19.670
Base-Backbone interact. energy: -1.454
local terms energy: -53.023306
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -80.801515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.801515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.801515 (E_RNA)
where:
Base-Base interactions energy: -37.319
where: short stacking energy: -26.130
Base-Backbone interact. energy: -0.063
local terms energy: -43.419587
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -241.726695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.726695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.726695 (E_RNA)
where:
Base-Base interactions energy: -162.851
where: short stacking energy: -71.608
Base-Backbone interact. energy: -0.119
local terms energy: -78.757149
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -10.921
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: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -227.656069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.656069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.656069 (E_RNA)
where:
Base-Base interactions energy: -154.018
where: short stacking energy: -72.091
Base-Backbone interact. energy: 0.297
local terms energy: -73.935806
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -18.728
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -199.457109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.457109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.457109 (E_RNA)
where:
Base-Base interactions energy: -132.668
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.097
local terms energy: -66.692305
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -14.096
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -227.948557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948557 (E_RNA)
where:
Base-Base interactions energy: -162.922
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.190
local terms energy: -64.836522
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -181.717649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.717649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.717649 (E_RNA)
where:
Base-Base interactions energy: -117.648
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.072
local terms energy: -63.997548
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -193.516569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.516569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.516569 (E_RNA)
where:
Base-Base interactions energy: -128.289
where: short stacking energy: -69.687
Base-Backbone interact. energy: 0.806
local terms energy: -66.034157
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -171.679443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.679443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.679443 (E_RNA)
where:
Base-Base interactions energy: -103.089
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.219
local terms energy: -68.371458
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -169.479580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.479580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.479580 (E_RNA)
where:
Base-Base interactions energy: -105.102
where: short stacking energy: -54.359
Base-Backbone interact. energy: 0.948
local terms energy: -65.325784
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -7.951
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: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -86.767350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767350 (E_RNA)
where:
Base-Base interactions energy: -29.907
where: short stacking energy: -28.746
Base-Backbone interact. energy: -0.092
local terms energy: -56.768854
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -92.203217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.203217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.203217 (E_RNA)
where:
Base-Base interactions energy: -36.285
where: short stacking energy: -36.202
Base-Backbone interact. energy: -0.168
local terms energy: -55.749983
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -5.268
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: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -236.317566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.317566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.317566 (E_RNA)
where:
Base-Base interactions energy: -164.964
where: short stacking energy: -69.931
Base-Backbone interact. energy: -0.259
local terms energy: -71.094876
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -227.617749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.617749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.617749 (E_RNA)
where:
Base-Base interactions energy: -150.290
where: short stacking energy: -70.639
Base-Backbone interact. energy: -1.686
local terms energy: -75.641517
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -200.216454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.216454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.216454 (E_RNA)
where:
Base-Base interactions energy: -134.903
where: short stacking energy: -57.679
Base-Backbone interact. energy: -0.012
local terms energy: -65.300592
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -204.222043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222043 (E_RNA)
where:
Base-Base interactions energy: -140.950
where: short stacking energy: -59.929
Base-Backbone interact. energy: -1.026
local terms energy: -62.245782
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -171.009446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.009446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.009446 (E_RNA)
where:
Base-Base interactions energy: -107.150
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.178
local terms energy: -63.681409
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -188.285400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.285400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.285400 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.605
local terms energy: -61.621517
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -182.650449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.650449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.650449 (E_RNA)
where:
Base-Base interactions energy: -116.974
where: short stacking energy: -61.054
Base-Backbone interact. energy: -0.020
local terms energy: -65.656535
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -166.914651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.914651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.914651 (E_RNA)
where:
Base-Base interactions energy: -113.284
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.062
local terms energy: -53.568600
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -12.652
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: 143
Temperature: 1.300000
Total energy: -90.713817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.713817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.713817 (E_RNA)
where:
Base-Base interactions energy: -48.785
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.541
local terms energy: -41.387722
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -6.477
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -89.321240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.321240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.321240 (E_RNA)
where:
Base-Base interactions energy: -33.345
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.342
local terms energy: -55.633805
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -226.507691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.507691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.507691 (E_RNA)
where:
Base-Base interactions energy: -153.789
where: short stacking energy: -65.732
Base-Backbone interact. energy: -0.745
local terms energy: -71.973583
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -235.899187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.899187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.899187 (E_RNA)
where:
Base-Base interactions energy: -168.036
where: short stacking energy: -72.629
Base-Backbone interact. energy: -0.697
local terms energy: -67.165653
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -194.153804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.153804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.153804 (E_RNA)
where:
Base-Base interactions energy: -123.398
where: short stacking energy: -68.928
Base-Backbone interact. energy: -0.033
local terms energy: -70.722332
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -187.496980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496980 (E_RNA)
where:
Base-Base interactions energy: -121.074
where: short stacking energy: -52.321
Base-Backbone interact. energy: -0.308
local terms energy: -66.114723
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -178.174405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.174405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.174405 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.317
local terms energy: -63.353250
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -168.299308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.299308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.299308 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.282
local terms energy: -56.963545
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -174.737727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.737727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.737727 (E_RNA)
where:
Base-Base interactions energy: -107.986
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.098
local terms energy: -66.653501
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -183.431289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.431289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.431289 (E_RNA)
where:
Base-Base interactions energy: -117.204
where: short stacking energy: -66.033
Base-Backbone interact. energy: -0.020
local terms energy: -66.206976
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -92.296530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.296530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.296530 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.320
local terms energy: -49.089724
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -82.103266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103266 (E_RNA)
where:
Base-Base interactions energy: -25.895
where: short stacking energy: -22.977
Base-Backbone interact. energy: -0.114
local terms energy: -56.094217
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -241.766004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.766004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.766004 (E_RNA)
where:
Base-Base interactions energy: -162.099
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.958
local terms energy: -78.709415
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -235.439912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.439912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.439912 (E_RNA)
where:
Base-Base interactions energy: -161.511
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.629
local terms energy: -73.300712
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -196.762934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.762934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.762934 (E_RNA)
where:
Base-Base interactions energy: -125.868
where: short stacking energy: -61.367
Base-Backbone interact. energy: -0.892
local terms energy: -70.003204
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -198.397786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.397786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.397786 (E_RNA)
where:
Base-Base interactions energy: -127.124
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.339
local terms energy: -70.934841
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -182.483107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.483107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483107 (E_RNA)
where:
Base-Base interactions energy: -118.435
where: short stacking energy: -45.446
Base-Backbone interact. energy: -1.789
local terms energy: -62.258284
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -177.138447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.138447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.138447 (E_RNA)
where:
Base-Base interactions energy: -112.261
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.114
local terms energy: -64.764106
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -175.127060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.127060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.127060 (E_RNA)
where:
Base-Base interactions energy: -112.078
where: short stacking energy: -57.125
Base-Backbone interact. energy: -0.008
local terms energy: -63.040584
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -15.033
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: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -150.787179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.787179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.787179 (E_RNA)
where:
Base-Base interactions energy: -94.138
where: short stacking energy: -47.874
Base-Backbone interact. energy: -0.094
local terms energy: -56.555328
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -87.440687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.440687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.440687 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -30.491
Base-Backbone interact. energy: 0.061
local terms energy: -47.615800
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -8.100
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -79.464243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.464243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.464243 (E_RNA)
where:
Base-Base interactions energy: -25.517
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.195
local terms energy: -53.752224
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -237.337120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.337120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.337120 (E_RNA)
where:
Base-Base interactions energy: -166.966
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.459
local terms energy: -69.912811
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -233.340243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.340243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.340243 (E_RNA)
where:
Base-Base interactions energy: -159.772
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.679
local terms energy: -72.889076
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -197.715374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.715374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.715374 (E_RNA)
where:
Base-Base interactions energy: -124.641
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.056
local terms energy: -73.018553
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -184.317835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.317835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.317835 (E_RNA)
where:
Base-Base interactions energy: -117.061
where: short stacking energy: -55.067
Base-Backbone interact. energy: -0.075
local terms energy: -67.182344
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.649
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: 146
Temperature: 1.100000
Total energy: -185.966290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.966290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.966290 (E_RNA)
where:
Base-Base interactions energy: -121.878
where: short stacking energy: -57.913
Base-Backbone interact. energy: -1.010
local terms energy: -63.079061
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -186.536877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.536877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.536877 (E_RNA)
where:
Base-Base interactions energy: -116.972
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.110
local terms energy: -69.454304
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -11.494
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: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -172.354670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.354670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.354670 (E_RNA)
where:
Base-Base interactions energy: -110.220
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.016
local terms energy: -62.118438
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -5.733
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: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -177.160486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.160486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.160486 (E_RNA)
where:
Base-Base interactions energy: -114.516
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.509
local terms energy: -62.135562
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -14.211
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -91.385657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385657 (E_RNA)
where:
Base-Base interactions energy: -40.994
where: short stacking energy: -32.127
Base-Backbone interact. energy: -0.090
local terms energy: -50.301053
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -89.972504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.972504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.972504 (E_RNA)
where:
Base-Base interactions energy: -41.766
where: short stacking energy: -41.311
Base-Backbone interact. energy: -0.141
local terms energy: -48.064833
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -246.862771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.862771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.862771 (E_RNA)
where:
Base-Base interactions energy: -180.884
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.584
local terms energy: -65.394817
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -227.535872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.535872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.535872 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -71.650
Base-Backbone interact. energy: 1.096
local terms energy: -75.498808
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -202.440905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.440905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.440905 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -56.646
Base-Backbone interact. energy: 0.735
local terms energy: -71.521699
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -171.518654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.518654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.518654 (E_RNA)
where:
Base-Base interactions energy: -113.549
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.012
local terms energy: -57.957733
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -181.414027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.414027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.414027 (E_RNA)
where:
Base-Base interactions energy: -119.280
where: short stacking energy: -53.745
Base-Backbone interact. energy: -0.286
local terms energy: -61.848432
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -173.696694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.696694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.696694 (E_RNA)
where:
Base-Base interactions energy: -106.265
where: short stacking energy: -58.198
Base-Backbone interact. energy: 0.076
local terms energy: -67.507246
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -12.831
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: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -169.002543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.002543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.002543 (E_RNA)
where:
Base-Base interactions energy: -108.823
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.721
local terms energy: -59.458307
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -8.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -175.770456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.770456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.770456 (E_RNA)
where:
Base-Base interactions energy: -105.785
where: short stacking energy: -61.634
Base-Backbone interact. energy: -0.185
local terms energy: -69.800247
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -98.698028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.698028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.698028 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.267
local terms energy: -54.053483
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.047
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: 147
Temperature: 1.350000
Total energy: -77.560191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.560191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.560191 (E_RNA)
where:
Base-Base interactions energy: -39.824
where: short stacking energy: -22.637
Base-Backbone interact. energy: -0.162
local terms energy: -37.574405
where:
bonds (distance) C4'-P energy: -4.514
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -8.691
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: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -253.358258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.358258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.358258 (E_RNA)
where:
Base-Base interactions energy: -174.844
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.738
local terms energy: -77.775960
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -234.313523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.313523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.313523 (E_RNA)
where:
Base-Base interactions energy: -161.347
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.346
local terms energy: -72.620544
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -17.227
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: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -208.025789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.025789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.025789 (E_RNA)
where:
Base-Base interactions energy: -133.334
where: short stacking energy: -70.449
Base-Backbone interact. energy: -0.639
local terms energy: -74.053226
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -12.511
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: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -177.925508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.925508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.925508 (E_RNA)
where:
Base-Base interactions energy: -117.147
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.267
local terms energy: -60.511659
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -186.920240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.920240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.920240 (E_RNA)
where:
Base-Base interactions energy: -121.363
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.040
local terms energy: -65.516791
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -188.757539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.757539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.757539 (E_RNA)
where:
Base-Base interactions energy: -123.264
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.664
local terms energy: -64.829284
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -13.669
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -174.366947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.366947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.366947 (E_RNA)
where:
Base-Base interactions energy: -110.914
where: short stacking energy: -57.175
Base-Backbone interact. energy: 1.823
local terms energy: -65.275868
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.647
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: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -147.290046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.290046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.290046 (E_RNA)
where:
Base-Base interactions energy: -98.378
where: short stacking energy: -44.551
Base-Backbone interact. energy: -0.478
local terms energy: -48.434248
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -84.572221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572221 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -31.442
Base-Backbone interact. energy: 1.337
local terms energy: -53.290825
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -75.523165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.523165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.523165 (E_RNA)
where:
Base-Base interactions energy: -25.726
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.022
local terms energy: -49.775361
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -233.961725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.961725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.961725 (E_RNA)
where:
Base-Base interactions energy: -166.016
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.266
local terms energy: -67.680145
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -13.967
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: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -201.283339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.283339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.283339 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.003
local terms energy: -73.788430
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -223.323215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.323215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.323215 (E_RNA)
where:
Base-Base interactions energy: -151.310
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.010
local terms energy: -72.002851
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -18.100
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -205.887359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.887359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.887359 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.018
local terms energy: -66.193840
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -14.580
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: 149
Temperature: 1.100000
Total energy: -176.642030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.642030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.642030 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.338
local terms energy: -66.562794
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -167.085991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.085991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.085991 (E_RNA)
where:
Base-Base interactions energy: -104.663
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.145
local terms energy: -62.278343
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -176.979357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.979357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.979357 (E_RNA)
where:
Base-Base interactions energy: -115.961
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.560
local terms energy: -60.459327
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -12.961
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -157.537902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.537902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.537902 (E_RNA)
where:
Base-Base interactions energy: -94.454
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.082
local terms energy: -63.002068
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -93.327814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.327814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.327814 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.020
local terms energy: -54.381764
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -8.127
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -86.394753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.394753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.394753 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.044
local terms energy: -55.211555
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -245.579948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.579948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.579948 (E_RNA)
where:
Base-Base interactions energy: -175.231
where: short stacking energy: -68.008
Base-Backbone interact. energy: -1.001
local terms energy: -69.348846
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -195.614861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.614861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614861 (E_RNA)
where:
Base-Base interactions energy: -126.090
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.039
local terms energy: -69.485523
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -223.365163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.365163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.365163 (E_RNA)
where:
Base-Base interactions energy: -153.436
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.739
local terms energy: -69.190147
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -184.108276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108276 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -59.942
Base-Backbone interact. energy: 0.495
local terms energy: -66.820595
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -12.021
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: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -187.284743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.284743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.284743 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.449
local terms energy: -59.274092
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -175.540693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.540693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.540693 (E_RNA)
where:
Base-Base interactions energy: -115.439
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.007
local terms energy: -60.094421
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -176.513068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.513068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.513068 (E_RNA)
where:
Base-Base interactions energy: -109.444
where: short stacking energy: -49.266
Base-Backbone interact. energy: -0.289
local terms energy: -66.780768
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -13.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -177.188911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.188911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.188911 (E_RNA)
where:
Base-Base interactions energy: -114.926
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.124
local terms energy: -62.139034
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -104.035797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.035797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.035797 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -40.344
Base-Backbone interact. energy: -0.007
local terms energy: -61.164674
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -78.569597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569597 (E_RNA)
where:
Base-Base interactions energy: -30.304
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.065
local terms energy: -48.201445
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -9.879
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -236.769061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.769061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.769061 (E_RNA)
where:
Base-Base interactions energy: -162.037
where: short stacking energy: -67.930
Base-Backbone interact. energy: 0.056
local terms energy: -74.787918
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -229.273488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.273488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.273488 (E_RNA)
where:
Base-Base interactions energy: -151.668
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.403
local terms energy: -77.202831
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -11.824
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: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -184.235030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.235030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.235030 (E_RNA)
where:
Base-Base interactions energy: -119.665
where: short stacking energy: -64.284
Base-Backbone interact. energy: -0.005
local terms energy: -64.565436
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -10.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -198.774395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774395 (E_RNA)
where:
Base-Base interactions energy: -126.588
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.161
local terms energy: -72.025205
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -184.205331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.205331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.205331 (E_RNA)
where:
Base-Base interactions energy: -117.319
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.005
local terms energy: -66.880882
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -172.762541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.762541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.762541 (E_RNA)
where:
Base-Base interactions energy: -110.234
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.003
local terms energy: -62.525806
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -12.428
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -172.244136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.244136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.244136 (E_RNA)
where:
Base-Base interactions energy: -107.465
where: short stacking energy: -52.674
Base-Backbone interact. energy: -0.055
local terms energy: -64.724613
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -14.557
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: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -171.174638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.174638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.174638 (E_RNA)
where:
Base-Base interactions energy: -115.223
where: short stacking energy: -57.315
Base-Backbone interact. energy: -0.160
local terms energy: -55.791870
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -94.556729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.556729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.556729 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.245
local terms energy: -50.920505
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -78.689888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.689888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.689888 (E_RNA)
where:
Base-Base interactions energy: -33.380
where: short stacking energy: -25.975
Base-Backbone interact. energy: 1.436
local terms energy: -46.745719
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: 1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -234.097390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.097390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.097390 (E_RNA)
where:
Base-Base interactions energy: -165.452
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.258
local terms energy: -68.387621
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -224.640733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.640733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.640733 (E_RNA)
where:
Base-Base interactions energy: -159.936
where: short stacking energy: -69.114
Base-Backbone interact. energy: -1.148
local terms energy: -63.557353
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -4.532
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: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -194.269377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.269377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269377 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -56.510
Base-Backbone interact. energy: -1.642
local terms energy: -71.814210
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -188.353646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.353646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.353646 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.001
local terms energy: -70.060359
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -16.311
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: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -185.546399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546399 (E_RNA)
where:
Base-Base interactions energy: -117.122
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.119
local terms energy: -68.305401
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -11.731
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: 6, replica: 7
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -178.546578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.546578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.546578 (E_RNA)
where:
Base-Base interactions energy: -120.527
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.026
local terms energy: -57.992857
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.830
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: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -177.176558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.176558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.176558 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -61.848
Base-Backbone interact. energy: -0.322
local terms energy: -61.317225
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -188.716193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.716193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.716193 (E_RNA)
where:
Base-Base interactions energy: -110.992
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.008
local terms energy: -77.716589
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -9.685
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -93.347584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.347584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.347584 (E_RNA)
where:
Base-Base interactions energy: -40.114
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.527
local terms energy: -52.706682
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -78.785122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.785122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.785122 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.398
local terms energy: -40.023205
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -7.256
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -240.856000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.856000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.856000 (E_RNA)
where:
Base-Base interactions energy: -163.053
where: short stacking energy: -73.389
Base-Backbone interact. energy: -0.130
local terms energy: -77.672464
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -204.598572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.598572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598572 (E_RNA)
where:
Base-Base interactions energy: -132.105
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.008
local terms energy: -72.486017
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -223.029125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.029125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.029125 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -60.690
Base-Backbone interact. energy: 0.183
local terms energy: -74.261230
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -185.533091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.533091 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -51.292
Base-Backbone interact. energy: -0.153
local terms energy: -68.959222
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -180.685874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.685874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.685874 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.411
local terms energy: -60.856050
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -171.038033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.038033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.038033 (E_RNA)
where:
Base-Base interactions energy: -109.979
where: short stacking energy: -55.657
Base-Backbone interact. energy: -0.081
local terms energy: -60.977598
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -172.066510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066510 (E_RNA)
where:
Base-Base interactions energy: -104.215
where: short stacking energy: -57.487
Base-Backbone interact. energy: 0.370
local terms energy: -68.221365
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -154.078216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.078216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.078216 (E_RNA)
where:
Base-Base interactions energy: -96.460
where: short stacking energy: -38.865
Base-Backbone interact. energy: 0.412
local terms energy: -58.029878
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -88.598053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598053 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -25.650
Base-Backbone interact. energy: -0.094
local terms energy: -55.959411
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -83.656681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.656681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.656681 (E_RNA)
where:
Base-Base interactions energy: -42.138
where: short stacking energy: -24.092
Base-Backbone interact. energy: -1.321
local terms energy: -40.197349
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -235.082190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.082190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.082190 (E_RNA)
where:
Base-Base interactions energy: -163.260
where: short stacking energy: -70.304
Base-Backbone interact. energy: 0.470
local terms energy: -72.291559
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -15.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -200.527536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.527536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.527536 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.748
local terms energy: -68.263940
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -220.275193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.275193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.275193 (E_RNA)
where:
Base-Base interactions energy: -150.970
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.535
local terms energy: -68.769893
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -15.971
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -189.064974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.064974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.064974 (E_RNA)
where:
Base-Base interactions energy: -120.837
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.165
local terms energy: -68.063570
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -16.499
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: 154
Temperature: 1.100000
Total energy: -190.055902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.055902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055902 (E_RNA)
where:
Base-Base interactions energy: -119.688
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.730
local terms energy: -69.638108
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -190.078249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.078249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.078249 (E_RNA)
where:
Base-Base interactions energy: -123.220
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.673
local terms energy: -66.185885
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -165.064303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.064303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.064303 (E_RNA)
where:
Base-Base interactions energy: -105.108
where: short stacking energy: -45.686
Base-Backbone interact. energy: -0.111
local terms energy: -59.844782
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -166.897408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.897408 (E_RNA)
where:
Base-Base interactions energy: -102.546
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.111
local terms energy: -64.240788
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -89.322114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322114 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -30.310
Base-Backbone interact. energy: -0.459
local terms energy: -58.552878
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -86.184191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.184191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.184191 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.104
local terms energy: -45.087939
where:
bonds (distance) C4'-P energy: -6.931
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -242.084503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.084503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.084503 (E_RNA)
where:
Base-Base interactions energy: -166.762
where: short stacking energy: -70.093
Base-Backbone interact. energy: -1.474
local terms energy: -73.848638
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -220.418474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.418474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.418474 (E_RNA)
where:
Base-Base interactions energy: -155.012
where: short stacking energy: -64.257
Base-Backbone interact. energy: -0.534
local terms energy: -64.872614
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -200.272344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.272344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.272344 (E_RNA)
where:
Base-Base interactions energy: -144.713
where: short stacking energy: -59.595
Base-Backbone interact. energy: -0.772
local terms energy: -54.787779
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -9.983
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: 155
Temperature: 1.050000
Total energy: -184.311797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311797 (E_RNA)
where:
Base-Base interactions energy: -113.972
where: short stacking energy: -54.470
Base-Backbone interact. energy: 1.505
local terms energy: -71.845156
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -180.568816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.568816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.568816 (E_RNA)
where:
Base-Base interactions energy: -113.120
where: short stacking energy: -58.584
Base-Backbone interact. energy: 0.009
local terms energy: -67.457014
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -11.750
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: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -177.093733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.093733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.093733 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.021
local terms energy: -62.477631
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -191.578754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.578754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.578754 (E_RNA)
where:
Base-Base interactions energy: -128.002
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.071
local terms energy: -63.506487
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -168.603558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.603558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.603558 (E_RNA)
where:
Base-Base interactions energy: -109.376
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.440
local terms energy: -58.787848
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -7.765
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -9.576
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.602652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.602652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.602652 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -36.186
Base-Backbone interact. energy: -0.155
local terms energy: -47.454105
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -5.236
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -87.941756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.941756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.941756 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -37.021
Base-Backbone interact. energy: -0.211
local terms energy: -48.738653
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -3.327
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: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -243.436920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.436920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.436920 (E_RNA)
where:
Base-Base interactions energy: -166.823
where: short stacking energy: -70.154
Base-Backbone interact. energy: 0.022
local terms energy: -76.636396
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -221.840241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.840241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.840241 (E_RNA)
where:
Base-Base interactions energy: -154.443
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.142
local terms energy: -67.255482
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -195.740551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.740551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.740551 (E_RNA)
where:
Base-Base interactions energy: -134.072
where: short stacking energy: -52.025
Base-Backbone interact. energy: -0.505
local terms energy: -61.164308
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -186.185609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.185609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.185609 (E_RNA)
where:
Base-Base interactions energy: -118.905
where: short stacking energy: -55.323
Base-Backbone interact. energy: 0.846
local terms energy: -68.126596
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -185.308702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.308702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.308702 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -66.364
Base-Backbone interact. energy: 0.701
local terms energy: -65.062788
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -182.434023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.434023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.434023 (E_RNA)
where:
Base-Base interactions energy: -121.575
where: short stacking energy: -58.199
Base-Backbone interact. energy: -0.022
local terms energy: -60.836772
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -167.519127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.519127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.519127 (E_RNA)
where:
Base-Base interactions energy: -104.572
where: short stacking energy: -51.705
Base-Backbone interact. energy: -0.183
local terms energy: -62.764274
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -183.989636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.989636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.989636 (E_RNA)
where:
Base-Base interactions energy: -119.675
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.105
local terms energy: -64.210345
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -94.852577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.852577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.852577 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -31.285
Base-Backbone interact. energy: -0.060
local terms energy: -56.666758
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.660
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: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -76.149680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.149680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.149680 (E_RNA)
where:
Base-Base interactions energy: -29.775
where: short stacking energy: -27.633
Base-Backbone interact. energy: -0.289
local terms energy: -46.085207
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -239.086976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.086976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.086976 (E_RNA)
where:
Base-Base interactions energy: -162.461
where: short stacking energy: -70.822
Base-Backbone interact. energy: -0.304
local terms energy: -76.321498
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -20.823
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -221.400682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.400682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.400682 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.094
local terms energy: -68.350789
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.821
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: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -202.712331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.712331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.712331 (E_RNA)
where:
Base-Base interactions energy: -132.061
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.487
local terms energy: -70.164535
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -192.560722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.560722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.560722 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.168
local terms energy: -74.612835
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.214
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: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -188.585237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.585237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.585237 (E_RNA)
where:
Base-Base interactions energy: -121.143
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.189
local terms energy: -67.252846
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -175.242504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.242504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.242504 (E_RNA)
where:
Base-Base interactions energy: -109.760
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.794
local terms energy: -64.689206
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -15.318
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: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -178.693607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693607 (E_RNA)
where:
Base-Base interactions energy: -120.074
where: short stacking energy: -69.092
Base-Backbone interact. energy: -0.070
local terms energy: -58.549570
where:
bonds (distance) C4'-P energy: -5.571
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -172.590268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590268 (E_RNA)
where:
Base-Base interactions energy: -107.672
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.145
local terms energy: -64.772429
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -11.434
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: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -86.315389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.315389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.315389 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.183
local terms energy: -52.066118
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.622
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: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -97.854718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.854718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.854718 (E_RNA)
where:
Base-Base interactions energy: -52.408
where: short stacking energy: -52.408
Base-Backbone interact. energy: -0.019
local terms energy: -45.427192
where:
bonds (distance) C4'-P energy: -3.264
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.371
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: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -234.049046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.049046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.049046 (E_RNA)
where:
Base-Base interactions energy: -162.676
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.116
local terms energy: -71.256691
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -236.120727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.120727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.120727 (E_RNA)
where:
Base-Base interactions energy: -160.757
where: short stacking energy: -64.826
Base-Backbone interact. energy: -1.604
local terms energy: -73.759630
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -18.667
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -215.088903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.088903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.088903 (E_RNA)
where:
Base-Base interactions energy: -145.964
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.486
local terms energy: -68.639282
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -193.782143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.782143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.782143 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -61.547
Base-Backbone interact. energy: -0.004
local terms energy: -69.022262
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -186.225226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.225226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.225226 (E_RNA)
where:
Base-Base interactions energy: -117.563
where: short stacking energy: -66.010
Base-Backbone interact. energy: -0.199
local terms energy: -68.463973
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -200.262077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.262077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.262077 (E_RNA)
where:
Base-Base interactions energy: -134.510
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.007
local terms energy: -65.744668
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -176.749806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.749806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.749806 (E_RNA)
where:
Base-Base interactions energy: -112.115
where: short stacking energy: -40.085
Base-Backbone interact. energy: -0.370
local terms energy: -64.265304
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.796
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: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -171.176071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.176071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.176071 (E_RNA)
where:
Base-Base interactions energy: -109.279
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.071
local terms energy: -61.825577
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -12.186
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -96.738482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738482 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.058
local terms energy: -54.211796
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -86.020633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.020633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.020633 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -26.743
Base-Backbone interact. energy: 2.762
local terms energy: -54.281636
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -235.723447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.723447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.723447 (E_RNA)
where:
Base-Base interactions energy: -164.303
where: short stacking energy: -69.505
Base-Backbone interact. energy: -0.454
local terms energy: -70.967172
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.067131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.067131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.067131 (E_RNA)
where:
Base-Base interactions energy: -148.242
where: short stacking energy: -66.015
Base-Backbone interact. energy: -0.258
local terms energy: -81.567116
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -188.932025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.932025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.932025 (E_RNA)
where:
Base-Base interactions energy: -121.406
where: short stacking energy: -53.297
Base-Backbone interact. energy: -0.472
local terms energy: -67.053432
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -197.964806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.964806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.964806 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.007
local terms energy: -67.022973
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -15.151
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: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -191.869043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869043 (E_RNA)
where:
Base-Base interactions energy: -119.469
where: short stacking energy: -57.261
Base-Backbone interact. energy: -0.006
local terms energy: -72.394313
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -13.591
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: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -160.479015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.479015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.479015 (E_RNA)
where:
Base-Base interactions energy: -109.411
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.172
local terms energy: -50.896072
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -171.531213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.531213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.531213 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -58.043
Base-Backbone interact. energy: 0.609
local terms energy: -57.226640
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -9.983
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: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -164.572304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572304 (E_RNA)
where:
Base-Base interactions energy: -94.823
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.140
local terms energy: -69.609948
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -12.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -96.700370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700370 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.419
local terms energy: -55.658224
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -9.545
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -80.320984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.320984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.320984 (E_RNA)
where:
Base-Base interactions energy: -30.858
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.084
local terms energy: -49.379313
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -7.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -240.643473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.643473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.643473 (E_RNA)
where:
Base-Base interactions energy: -169.208
where: short stacking energy: -72.136
Base-Backbone interact. energy: -0.090
local terms energy: -71.345575
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -242.154395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.154395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.154395 (E_RNA)
where:
Base-Base interactions energy: -169.837
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.306
local terms energy: -72.011415
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -206.302036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.302036 (E_RNA)
where:
Base-Base interactions energy: -131.803
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.240
local terms energy: -74.258859
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -190.980796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.980796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.980796 (E_RNA)
where:
Base-Base interactions energy: -122.157
where: short stacking energy: -51.058
Base-Backbone interact. energy: -0.057
local terms energy: -68.766417
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -184.257574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.257574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.257574 (E_RNA)
where:
Base-Base interactions energy: -119.966
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.035
local terms energy: -64.257357
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -169.372782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.372782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.372782 (E_RNA)
where:
Base-Base interactions energy: -112.517
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.095
local terms energy: -56.760574
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -7.247
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -187.963975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.963975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.963975 (E_RNA)
where:
Base-Base interactions energy: -125.581
where: short stacking energy: -59.002
Base-Backbone interact. energy: 1.558
local terms energy: -63.940744
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -179.447872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.447872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.447872 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -48.749
Base-Backbone interact. energy: -0.030
local terms energy: -61.520550
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -95.375339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.375339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.375339 (E_RNA)
where:
Base-Base interactions energy: -43.052
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.058
local terms energy: -52.264432
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -1.836
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -134.149691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.149691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.149691 (E_RNA)
where:
Base-Base interactions energy: -81.083
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.228
local terms energy: -52.838445
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -250.619304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.619304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.619304 (E_RNA)
where:
Base-Base interactions energy: -176.742
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.815
local terms energy: -73.062311
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -15.746
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: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -203.516074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.516074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.516074 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.573
local terms energy: -63.964918
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.303
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: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -229.922145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.922145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.922145 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.669
local terms energy: -71.779454
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -192.079213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.079213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.079213 (E_RNA)
where:
Base-Base interactions energy: -121.606
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.080
local terms energy: -70.393757
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -177.803646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.803646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.803646 (E_RNA)
where:
Base-Base interactions energy: -119.697
where: short stacking energy: -63.897
Base-Backbone interact. energy: 0.733
local terms energy: -58.840383
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -172.756031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.756031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.756031 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -51.867
Base-Backbone interact. energy: -2.161
local terms energy: -58.797234
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -12.364
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: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -199.088877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.088877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.088877 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.159
local terms energy: -64.088264
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -13.670
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: 161
Temperature: 1.250000
Total energy: -90.197305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.197305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.197305 (E_RNA)
where:
Base-Base interactions energy: -32.965
where: short stacking energy: -32.965
Base-Backbone interact. energy: -0.185
local terms energy: -57.047231
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -7.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -171.196034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.196034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.196034 (E_RNA)
where:
Base-Base interactions energy: -105.910
where: short stacking energy: -51.993
Base-Backbone interact. energy: -0.132
local terms energy: -65.154285
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -161.034013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.034013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.034013 (E_RNA)
where:
Base-Base interactions energy: -104.680
where: short stacking energy: -52.833
Base-Backbone interact. energy: -0.021
local terms energy: -56.333203
where:
bonds (distance) C4'-P energy: -7.778
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -238.473917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.473917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.473917 (E_RNA)
where:
Base-Base interactions energy: -161.919
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.160
local terms energy: -76.394433
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -16.540
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: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -206.272922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272922 (E_RNA)
where:
Base-Base interactions energy: -127.414
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.001
local terms energy: -78.857342
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.511
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: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -225.247809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.247809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.247809 (E_RNA)
where:
Base-Base interactions energy: -154.995
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.172
local terms energy: -70.080921
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.252
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -193.475992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.475992 (E_RNA)
where:
Base-Base interactions energy: -129.571
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.074
local terms energy: -63.831320
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -3.446
tors. eta vs tors. theta energy: -16.346
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: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -187.104588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.104588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.104588 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -63.246
Base-Backbone interact. energy: -0.442
local terms energy: -62.052056
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -167.438305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.438305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.438305 (E_RNA)
where:
Base-Base interactions energy: -104.217
where: short stacking energy: -49.357
Base-Backbone interact. energy: -0.190
local terms energy: -63.031638
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -181.473276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.473276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.473276 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.039
local terms energy: -65.947755
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -98.644136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.644136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.644136 (E_RNA)
where:
Base-Base interactions energy: -43.154
where: short stacking energy: -43.154
Base-Backbone interact. energy: -0.020
local terms energy: -55.470854
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -144.870728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.870728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.870728 (E_RNA)
where:
Base-Base interactions energy: -92.902
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.399
local terms energy: -51.569669
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -3.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -152.337211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.337211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.337211 (E_RNA)
where:
Base-Base interactions energy: -99.424
where: short stacking energy: -41.768
Base-Backbone interact. energy: -0.841
local terms energy: -52.071808
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -241.009339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.009339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.009339 (E_RNA)
where:
Base-Base interactions energy: -167.342
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.912
local terms energy: -72.755607
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -228.783771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.783771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.783771 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -77.501
Base-Backbone interact. energy: -0.006
local terms energy: -75.308471
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -16.705
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: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -195.974537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.974537 (E_RNA)
where:
Base-Base interactions energy: -126.215
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.100
local terms energy: -69.659526
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -15.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -189.997886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.997886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.997886 (E_RNA)
where:
Base-Base interactions energy: -120.797
where: short stacking energy: -59.800
Base-Backbone interact. energy: -0.063
local terms energy: -69.138372
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -9.007
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: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -184.843593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.843593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.843593 (E_RNA)
where:
Base-Base interactions energy: -116.664
where: short stacking energy: -48.468
Base-Backbone interact. energy: -0.059
local terms energy: -68.120133
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -194.436526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.436526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.436526 (E_RNA)
where:
Base-Base interactions energy: -121.677
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.031
local terms energy: -72.728347
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.299
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: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -170.338198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.338198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.338198 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -58.528
Base-Backbone interact. energy: -0.024
local terms energy: -62.928065
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -161.401430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.401430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.401430 (E_RNA)
where:
Base-Base interactions energy: -106.970
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.535
local terms energy: -53.896744
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -10.857
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -9.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -78.289035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289035 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.031
local terms energy: -45.811109
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -7.190
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: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -149.802134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.802134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.802134 (E_RNA)
where:
Base-Base interactions energy: -94.024
where: short stacking energy: -52.146
Base-Backbone interact. energy: -0.147
local terms energy: -55.631258
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -10.441
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: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -241.430430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.430430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.430430 (E_RNA)
where:
Base-Base interactions energy: -163.218
where: short stacking energy: -64.410
Base-Backbone interact. energy: -1.735
local terms energy: -76.476521
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -18.309
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: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -237.438603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.438603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.438603 (E_RNA)
where:
Base-Base interactions energy: -163.328
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.924
local terms energy: -73.186539
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -202.609487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.609487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.609487 (E_RNA)
where:
Base-Base interactions energy: -135.029
where: short stacking energy: -64.148
Base-Backbone interact. energy: 0.947
local terms energy: -68.527982
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -198.852180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.852180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.852180 (E_RNA)
where:
Base-Base interactions energy: -123.111
where: short stacking energy: -69.542
Base-Backbone interact. energy: -0.123
local terms energy: -75.617246
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -173.780432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.780432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.780432 (E_RNA)
where:
Base-Base interactions energy: -107.389
where: short stacking energy: -46.044
Base-Backbone interact. energy: -0.109
local terms energy: -66.282494
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -172.484651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.484651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.484651 (E_RNA)
where:
Base-Base interactions energy: -110.442
where: short stacking energy: -57.137
Base-Backbone interact. energy: -0.698
local terms energy: -61.345071
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -182.176645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.176645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.176645 (E_RNA)
where:
Base-Base interactions energy: -114.824
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.512
local terms energy: -66.840874
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -11.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -156.290192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.290192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.290192 (E_RNA)
where:
Base-Base interactions energy: -99.487
where: short stacking energy: -40.662
Base-Backbone interact. energy: -0.365
local terms energy: -56.437898
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -171.608134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.608134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.608134 (E_RNA)
where:
Base-Base interactions energy: -108.610
where: short stacking energy: -51.098
Base-Backbone interact. energy: -0.901
local terms energy: -62.096949
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -9.602
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: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -95.003073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.003073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.003073 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.083
local terms energy: -59.772414
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -9.883
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -8.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -239.679233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.679233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.679233 (E_RNA)
where:
Base-Base interactions energy: -166.791
where: short stacking energy: -66.853
Base-Backbone interact. energy: -0.533
local terms energy: -72.354805
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -15.249
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: 165
Temperature: 0.950000
Total energy: -240.750173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.750173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.750173 (E_RNA)
where:
Base-Base interactions energy: -173.123
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.758
local terms energy: -66.869098
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -195.285958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.285958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.285958 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -64.976
Base-Backbone interact. energy: 0.260
local terms energy: -66.486814
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -16.707
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: 165
Temperature: 1.050000
Total energy: -192.244730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.244730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.244730 (E_RNA)
where:
Base-Base interactions energy: -123.767
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.124
local terms energy: -68.354137
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -11.700
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: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -186.112637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.112637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.112637 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.057
local terms energy: -63.824028
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -177.430751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.430751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.430751 (E_RNA)
where:
Base-Base interactions energy: -118.585
where: short stacking energy: -59.829
Base-Backbone interact. energy: 0.275
local terms energy: -59.120554
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -174.831084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.831084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.831084 (E_RNA)
where:
Base-Base interactions energy: -111.287
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.076
local terms energy: -63.468673
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -178.283463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.283463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.283463 (E_RNA)
where:
Base-Base interactions energy: -108.195
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.169
local terms energy: -69.919338
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -10.053
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -161.779224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.779224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.779224 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -48.103
Base-Backbone interact. energy: 0.304
local terms energy: -59.699611
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -6.920
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -12.332
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -76.802123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.802123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.802123 (E_RNA)
where:
Base-Base interactions energy: -20.406
where: short stacking energy: -20.406
Base-Backbone interact. energy: -0.104
local terms energy: -56.291869
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -7.197
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: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -243.303111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.303111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.303111 (E_RNA)
where:
Base-Base interactions energy: -169.094
where: short stacking energy: -61.635
Base-Backbone interact. energy: -1.213
local terms energy: -72.995640
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -220.873538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.873538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.873538 (E_RNA)
where:
Base-Base interactions energy: -152.277
where: short stacking energy: -59.961
Base-Backbone interact. energy: 0.227
local terms energy: -68.824099
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -196.061182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.061182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.061182 (E_RNA)
where:
Base-Base interactions energy: -136.059
where: short stacking energy: -54.102
Base-Backbone interact. energy: -0.055
local terms energy: -59.947361
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -190.494044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.494044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.494044 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.006
local terms energy: -70.618881
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -180.410852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.410852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.410852 (E_RNA)
where:
Base-Base interactions energy: -123.276
where: short stacking energy: -58.430
Base-Backbone interact. energy: 0.940
local terms energy: -58.075064
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -176.541734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.541734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.541734 (E_RNA)
where:
Base-Base interactions energy: -113.875
where: short stacking energy: -53.004
Base-Backbone interact. energy: -0.158
local terms energy: -62.508502
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -169.147924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.147924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147924 (E_RNA)
where:
Base-Base interactions energy: -102.926
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.363
local terms energy: -65.859732
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -164.762602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.762602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.762602 (E_RNA)
where:
Base-Base interactions energy: -101.513
where: short stacking energy: -44.145
Base-Backbone interact. energy: -0.087
local terms energy: -63.162700
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -93.714793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714793 (E_RNA)
where:
Base-Base interactions energy: -40.636
where: short stacking energy: -29.597
Base-Backbone interact. energy: 0.304
local terms energy: -53.382459
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -156.235836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.235836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.235836 (E_RNA)
where:
Base-Base interactions energy: -98.886
where: short stacking energy: -46.739
Base-Backbone interact. energy: -0.205
local terms energy: -57.145600
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -255.131401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.131401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.131401 (E_RNA)
where:
Base-Base interactions energy: -180.712
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.197
local terms energy: -74.222770
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -221.590766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590766 (E_RNA)
where:
Base-Base interactions energy: -155.007
where: short stacking energy: -58.108
Base-Backbone interact. energy: 0.805
local terms energy: -67.388497
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -221.921373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.921373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.921373 (E_RNA)
where:
Base-Base interactions energy: -151.269
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.309
local terms energy: -70.342995
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -17.421
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: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -194.165798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.165798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.165798 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.677
local terms energy: -64.708153
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -175.597342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.597342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.597342 (E_RNA)
where:
Base-Base interactions energy: -116.779
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.343
local terms energy: -58.475132
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -3.902
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -175.469861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.469861 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.186
local terms energy: -64.099319
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -169.326486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.326486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.326486 (E_RNA)
where:
Base-Base interactions energy: -106.727
where: short stacking energy: -43.768
Base-Backbone interact. energy: -0.163
local terms energy: -62.436489
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -9.150
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: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -94.378071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.378071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.378071 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -36.989
Base-Backbone interact. energy: -0.100
local terms energy: -57.288674
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -10.922
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: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -170.699607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.699607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.699607 (E_RNA)
where:
Base-Base interactions energy: -102.096
where: short stacking energy: -51.206
Base-Backbone interact. energy: 0.251
local terms energy: -68.854271
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -166.525994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.525994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.525994 (E_RNA)
where:
Base-Base interactions energy: -103.542
where: short stacking energy: -46.041
Base-Backbone interact. energy: -0.055
local terms energy: -62.928516
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -245.478343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.478343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.478343 (E_RNA)
where:
Base-Base interactions energy: -168.974
where: short stacking energy: -61.288
Base-Backbone interact. energy: -1.120
local terms energy: -75.384500
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -218.417767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417767 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.570
local terms energy: -71.017766
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -235.805585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.805585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.805585 (E_RNA)
where:
Base-Base interactions energy: -172.347
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.150
local terms energy: -63.308717
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -187.203322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.203322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.203322 (E_RNA)
where:
Base-Base interactions energy: -119.131
where: short stacking energy: -60.424
Base-Backbone interact. energy: -0.265
local terms energy: -67.806808
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -184.159737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.159737 (E_RNA)
where:
Base-Base interactions energy: -114.185
where: short stacking energy: -62.697
Base-Backbone interact. energy: 1.322
local terms energy: -71.296848
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -190.243798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.243798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.243798 (E_RNA)
where:
Base-Base interactions energy: -118.675
where: short stacking energy: -63.850
Base-Backbone interact. energy: -0.752
local terms energy: -70.817161
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -11.736
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -177.806729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.806729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.806729 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.072
local terms energy: -60.153239
where:
bonds (distance) C4'-P energy: -7.831
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -89.505608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.505608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.505608 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.062
local terms energy: -57.180551
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -171.149403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149403 (E_RNA)
where:
Base-Base interactions energy: -112.387
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.365
local terms energy: -58.397626
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -166.040583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.040583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.040583 (E_RNA)
where:
Base-Base interactions energy: -108.513
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.817
local terms energy: -56.710490
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -10.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -237.653728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.653728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.653728 (E_RNA)
where:
Base-Base interactions energy: -164.645
where: short stacking energy: -65.354
Base-Backbone interact. energy: -0.215
local terms energy: -72.794206
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -16.616
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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -225.087874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.087874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.087874 (E_RNA)
where:
Base-Base interactions energy: -160.333
where: short stacking energy: -66.476
Base-Backbone interact. energy: -2.118
local terms energy: -62.636575
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -222.957964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.957964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.957964 (E_RNA)
where:
Base-Base interactions energy: -159.002
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.200
local terms energy: -63.755883
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -12.001
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: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -196.527394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.527394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.527394 (E_RNA)
where:
Base-Base interactions energy: -129.029
where: short stacking energy: -51.858
Base-Backbone interact. energy: -0.814
local terms energy: -66.684439
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -9.042
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: 169
Temperature: 1.100000
Total energy: -179.878382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.878382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.878382 (E_RNA)
where:
Base-Base interactions energy: -117.204
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.007
local terms energy: -62.667167
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -13.299
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: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -179.920786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.920786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.920786 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -59.723
Base-Backbone interact. energy: 0.241
local terms energy: -65.742212
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -198.044574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.044574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.044574 (E_RNA)
where:
Base-Base interactions energy: -130.408
where: short stacking energy: -72.215
Base-Backbone interact. energy: 0.655
local terms energy: -68.291617
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.487
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: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -172.091554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.091554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.091554 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -50.693
Base-Backbone interact. energy: -0.440
local terms energy: -60.524515
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -86.758678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.758678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.758678 (E_RNA)
where:
Base-Base interactions energy: -38.378
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.218
local terms energy: -48.161912
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -167.676444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.676444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.676444 (E_RNA)
where:
Base-Base interactions energy: -103.719
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.100
local terms energy: -63.857227
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -237.475362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.475362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.475362 (E_RNA)
where:
Base-Base interactions energy: -161.198
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.609
local terms energy: -75.668915
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -229.332648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.332648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.332648 (E_RNA)
where:
Base-Base interactions energy: -158.332
where: short stacking energy: -70.738
Base-Backbone interact. energy: 0.229
local terms energy: -71.230618
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.538
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: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -192.826367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.826367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.826367 (E_RNA)
where:
Base-Base interactions energy: -125.069
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.089
local terms energy: -67.668321
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -220.088628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.088628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.088628 (E_RNA)
where:
Base-Base interactions energy: -153.132
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.272
local terms energy: -66.684087
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -188.889708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.889708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.889708 (E_RNA)
where:
Base-Base interactions energy: -117.539
where: short stacking energy: -54.866
Base-Backbone interact. energy: -0.212
local terms energy: -71.138611
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -176.848677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.848677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.848677 (E_RNA)
where:
Base-Base interactions energy: -109.811
where: short stacking energy: -54.679
Base-Backbone interact. energy: 0.449
local terms energy: -67.486485
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -11.509
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: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -189.716393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.716393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.716393 (E_RNA)
where:
Base-Base interactions energy: -118.479
where: short stacking energy: -61.791
Base-Backbone interact. energy: -0.328
local terms energy: -70.909561
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -7.146
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: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -177.765592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.765592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.765592 (E_RNA)
where:
Base-Base interactions energy: -117.992
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.055
local terms energy: -59.718200
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -163.585430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.585430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.585430 (E_RNA)
where:
Base-Base interactions energy: -108.592
where: short stacking energy: -49.408
Base-Backbone interact. energy: -0.139
local terms energy: -54.854014
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -9.918
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: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -89.747460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.747460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.747460 (E_RNA)
where:
Base-Base interactions energy: -41.953
where: short stacking energy: -37.231
Base-Backbone interact. energy: -0.224
local terms energy: -47.570057
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -248.619227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.619227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.619227 (E_RNA)
where:
Base-Base interactions energy: -170.989
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.427
local terms energy: -77.203584
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -240.364471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.364471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.364471 (E_RNA)
where:
Base-Base interactions energy: -168.032
where: short stacking energy: -77.241
Base-Backbone interact. energy: 0.195
local terms energy: -72.527550
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -18.325
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -197.366719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.366719 (E_RNA)
where:
Base-Base interactions energy: -129.409
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.011
local terms energy: -67.947368
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -11.406
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: -224.390270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.390270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.390270 (E_RNA)
where:
Base-Base interactions energy: -155.463
where: short stacking energy: -65.886
Base-Backbone interact. energy: -2.268
local terms energy: -66.659486
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -199.761756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.761756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.761756 (E_RNA)
where:
Base-Base interactions energy: -129.853
where: short stacking energy: -59.440
Base-Backbone interact. energy: 0.525
local terms energy: -70.434313
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -13.301
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -193.995418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.995418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.995418 (E_RNA)
where:
Base-Base interactions energy: -129.373
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.013
local terms energy: -64.609214
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -14.370
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: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -174.622160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.622160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.622160 (E_RNA)
where:
Base-Base interactions energy: -107.019
where: short stacking energy: -52.522
Base-Backbone interact. energy: 0.094
local terms energy: -67.697383
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -172.684127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.684127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.684127 (E_RNA)
where:
Base-Base interactions energy: -110.995
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.673
local terms energy: -61.016335
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -168.183360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.183360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.183360 (E_RNA)
where:
Base-Base interactions energy: -109.549
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.343
local terms energy: -58.291629
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -83.004956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004956 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -33.566
Base-Backbone interact. energy: -0.002
local terms energy: -49.437184
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -237.996770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.996770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.996770 (E_RNA)
where:
Base-Base interactions energy: -163.436
where: short stacking energy: -67.603
Base-Backbone interact. energy: -0.520
local terms energy: -74.041361
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -234.277599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.277599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.277599 (E_RNA)
where:
Base-Base interactions energy: -162.298
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.307
local terms energy: -71.672460
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -221.846463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846463 (E_RNA)
where:
Base-Base interactions energy: -159.411
where: short stacking energy: -64.968
Base-Backbone interact. energy: 1.072
local terms energy: -63.507437
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -199.487112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.487112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.487112 (E_RNA)
where:
Base-Base interactions energy: -133.251
where: short stacking energy: -69.037
Base-Backbone interact. energy: -0.025
local terms energy: -66.210786
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -190.501517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.501517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.501517 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.093
local terms energy: -66.349236
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -185.254409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.254409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.254409 (E_RNA)
where:
Base-Base interactions energy: -122.769
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.224
local terms energy: -62.261347
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -172.058720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.058720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.058720 (E_RNA)
where:
Base-Base interactions energy: -100.813
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.102
local terms energy: -71.143417
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -12.707
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: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -171.139715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.139715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.139715 (E_RNA)
where:
Base-Base interactions energy: -113.578
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.053
local terms energy: -57.508325
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -160.070630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.070630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.070630 (E_RNA)
where:
Base-Base interactions energy: -111.870
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.036
local terms energy: -48.165417
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -5.250
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: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.654922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654922 (E_RNA)
where:
Base-Base interactions energy: -32.687
where: short stacking energy: -32.687
Base-Backbone interact. energy: -0.107
local terms energy: -48.860278
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -235.110654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.110654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.110654 (E_RNA)
where:
Base-Base interactions energy: -164.635
where: short stacking energy: -63.171
Base-Backbone interact. energy: -0.207
local terms energy: -70.269359
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -233.276115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.276115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.276115 (E_RNA)
where:
Base-Base interactions energy: -160.816
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.383
local terms energy: -72.077575
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -215.238930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.238930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.238930 (E_RNA)
where:
Base-Base interactions energy: -150.543
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.790
local terms energy: -63.906054
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -198.775982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.775982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.775982 (E_RNA)
where:
Base-Base interactions energy: -130.295
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.066
local terms energy: -68.415235
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -190.890641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.890641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.890641 (E_RNA)
where:
Base-Base interactions energy: -124.657
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.006
local terms energy: -66.227650
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -15.839
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: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -171.899231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.899231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.899231 (E_RNA)
where:
Base-Base interactions energy: -120.720
where: short stacking energy: -48.236
Base-Backbone interact. energy: -0.126
local terms energy: -51.053273
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -162.377933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.377933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.377933 (E_RNA)
where:
Base-Base interactions energy: -99.363
where: short stacking energy: -47.003
Base-Backbone interact. energy: -0.084
local terms energy: -62.931397
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -172.037362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037362 (E_RNA)
where:
Base-Base interactions energy: -112.705
where: short stacking energy: -45.343
Base-Backbone interact. energy: -0.308
local terms energy: -59.024542
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -165.163230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.163230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.163230 (E_RNA)
where:
Base-Base interactions energy: -115.356
where: short stacking energy: -53.596
Base-Backbone interact. energy: -0.206
local terms energy: -49.601819
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -11.244
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: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -88.719002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.719002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.719002 (E_RNA)
where:
Base-Base interactions energy: -37.666
where: short stacking energy: -31.493
Base-Backbone interact. energy: 0.059
local terms energy: -51.111545
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -234.670060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.670060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.670060 (E_RNA)
where:
Base-Base interactions energy: -160.980
where: short stacking energy: -72.658
Base-Backbone interact. energy: -1.045
local terms energy: -72.645374
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -233.955904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.955904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.955904 (E_RNA)
where:
Base-Base interactions energy: -172.210
where: short stacking energy: -62.765
Base-Backbone interact. energy: 0.310
local terms energy: -62.056165
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -197.971926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.971926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.971926 (E_RNA)
where:
Base-Base interactions energy: -125.773
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.209
local terms energy: -71.989819
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -16.567
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: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -200.544966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.544966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.544966 (E_RNA)
where:
Base-Base interactions energy: -130.993
where: short stacking energy: -59.663
Base-Backbone interact. energy: -0.104
local terms energy: -69.447880
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -16.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -189.557614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557614 (E_RNA)
where:
Base-Base interactions energy: -123.965
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.561
local terms energy: -65.032053
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -173.277023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.277023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.277023 (E_RNA)
where:
Base-Base interactions energy: -108.508
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.262
local terms energy: -64.507133
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -195.943188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.943188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.943188 (E_RNA)
where:
Base-Base interactions energy: -128.271
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.297
local terms energy: -67.375450
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -17.612
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: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -168.040413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.040413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.040413 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.225
local terms energy: -56.538512
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -157.418367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.418367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.418367 (E_RNA)
where:
Base-Base interactions energy: -94.992
where: short stacking energy: -43.819
Base-Backbone interact. energy: -0.188
local terms energy: -62.238674
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -10.940
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: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -76.129455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.129455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.129455 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -36.206
Base-Backbone interact. energy: -0.063
local terms energy: -39.836698
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -0.997
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -235.169391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.169391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.169391 (E_RNA)
where:
Base-Base interactions energy: -164.639
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.694
local terms energy: -69.836769
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -226.049308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.049308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.049308 (E_RNA)
where:
Base-Base interactions energy: -154.650
where: short stacking energy: -64.042
Base-Backbone interact. energy: -0.860
local terms energy: -70.539643
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -199.326029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.326029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.326029 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.722
local terms energy: -70.312894
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -212.561904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.561904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561904 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.925
local terms energy: -74.781944
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -181.172737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.172737 (E_RNA)
where:
Base-Base interactions energy: -115.458
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.138
local terms energy: -65.576354
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -171.652940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.652940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.652940 (E_RNA)
where:
Base-Base interactions energy: -113.958
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.660
local terms energy: -57.034533
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -11.511
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: 7, replica: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -161.683284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.683284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.683284 (E_RNA)
where:
Base-Base interactions energy: -103.535
where: short stacking energy: -38.958
Base-Backbone interact. energy: 0.458
local terms energy: -58.605937
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -173.782633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782633 (E_RNA)
where:
Base-Base interactions energy: -115.652
where: short stacking energy: -60.096
Base-Backbone interact. energy: 0.349
local terms energy: -58.480555
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -150.966404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.966404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966404 (E_RNA)
where:
Base-Base interactions energy: -93.821
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.169
local terms energy: -56.976200
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -11.231
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: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -81.705051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.705051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.705051 (E_RNA)
where:
Base-Base interactions energy: -30.847
where: short stacking energy: -31.147
Base-Backbone interact. energy: -0.052
local terms energy: -50.805623
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -236.808604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.808604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.808604 (E_RNA)
where:
Base-Base interactions energy: -163.992
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.325
local terms energy: -72.491539
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -15.523
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: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -224.957707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.957707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.957707 (E_RNA)
where:
Base-Base interactions energy: -152.621
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.375
local terms energy: -71.961991
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -11.423
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: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -211.732831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.732831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.732831 (E_RNA)
where:
Base-Base interactions energy: -144.761
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.042
local terms energy: -66.929719
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -194.477350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.477350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.477350 (E_RNA)
where:
Base-Base interactions energy: -124.165
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.055
local terms energy: -70.257543
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.148
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: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -186.866312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.866312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.866312 (E_RNA)
where:
Base-Base interactions energy: -122.699
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.292
local terms energy: -63.875302
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -176.261085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.261085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.261085 (E_RNA)
where:
Base-Base interactions energy: -110.694
where: short stacking energy: -53.535
Base-Backbone interact. energy: -0.109
local terms energy: -65.458273
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -9.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -176.080856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.080856 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -55.904
Base-Backbone interact. energy: 0.401
local terms energy: -59.227406
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -171.778774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778774 (E_RNA)
where:
Base-Base interactions energy: -108.690
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.580
local terms energy: -62.508934
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -6.213
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: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -164.571356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.571356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.571356 (E_RNA)
where:
Base-Base interactions energy: -105.737
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.517
local terms energy: -58.317090
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -89.564106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.564106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.564106 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.939
local terms energy: -53.411298
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -239.810996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.810996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.810996 (E_RNA)
where:
Base-Base interactions energy: -160.435
where: short stacking energy: -76.850
Base-Backbone interact. energy: -0.235
local terms energy: -79.141631
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -237.932242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.932242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.932242 (E_RNA)
where:
Base-Base interactions energy: -164.825
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.293
local terms energy: -72.815039
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -216.393110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.393110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.393110 (E_RNA)
where:
Base-Base interactions energy: -142.947
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.020
local terms energy: -73.425646
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.083
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: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -187.834336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.834336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.834336 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -58.014
Base-Backbone interact. energy: -0.031
local terms energy: -72.569717
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -186.921251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.921251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.921251 (E_RNA)
where:
Base-Base interactions energy: -122.312
where: short stacking energy: -64.560
Base-Backbone interact. energy: -0.005
local terms energy: -64.605108
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -5.162
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: 177
Temperature: 1.150000
Total energy: -174.714308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.714308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.714308 (E_RNA)
where:
Base-Base interactions energy: -111.132
where: short stacking energy: -51.445
Base-Backbone interact. energy: -0.602
local terms energy: -62.980590
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -181.208802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208802 (E_RNA)
where:
Base-Base interactions energy: -116.467
where: short stacking energy: -62.640
Base-Backbone interact. energy: -0.051
local terms energy: -64.691618
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -165.950200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.950200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.950200 (E_RNA)
where:
Base-Base interactions energy: -107.065
where: short stacking energy: -54.551
Base-Backbone interact. energy: -0.091
local terms energy: -58.794154
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -164.227468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.227468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.227468 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -55.327
Base-Backbone interact. energy: 2.488
local terms energy: -56.372399
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -77.581972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.581972 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.265
local terms energy: -47.486281
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: 0.684
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: 178
Temperature: 0.900000
Total energy: -233.198477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.198477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.198477 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.487
local terms energy: -74.796124
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -17.620
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: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -242.396381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.396381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.396381 (E_RNA)
where:
Base-Base interactions energy: -166.908
where: short stacking energy: -71.400
Base-Backbone interact. energy: -0.299
local terms energy: -75.189651
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -199.805053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.805053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.805053 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.944
local terms energy: -56.187860
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -8.909
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: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -198.093493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093493 (E_RNA)
where:
Base-Base interactions energy: -128.212
where: short stacking energy: -60.709
Base-Backbone interact. energy: 0.042
local terms energy: -69.924241
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -175.724556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.724556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.724556 (E_RNA)
where:
Base-Base interactions energy: -108.066
where: short stacking energy: -55.113
Base-Backbone interact. energy: -0.096
local terms energy: -67.563266
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -12.795
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -171.975878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975878 (E_RNA)
where:
Base-Base interactions energy: -110.540
where: short stacking energy: -59.034
Base-Backbone interact. energy: 0.320
local terms energy: -61.755468
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -178.742269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.742269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.742269 (E_RNA)
where:
Base-Base interactions energy: -114.389
where: short stacking energy: -51.701
Base-Backbone interact. energy: 0.750
local terms energy: -65.103834
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -11.518
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: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -164.196109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.196109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.196109 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.200
local terms energy: -55.824559
where:
bonds (distance) C4'-P energy: -7.776
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -184.989913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.989913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.989913 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -47.816
Base-Backbone interact. energy: -1.132
local terms energy: -64.183816
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -85.550102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.550102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.550102 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -24.711
Base-Backbone interact. energy: -0.225
local terms energy: -50.867828
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: 0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -234.349956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.349956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.349956 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -72.633
Base-Backbone interact. energy: -1.013
local terms energy: -76.136398
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -16.056
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -16.043
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: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -216.824842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.824842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.824842 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.179
local terms energy: -72.388274
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -207.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.529606 (E_RNA)
where:
Base-Base interactions energy: -140.041
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.899
local terms energy: -66.589250
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -192.796945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.796945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.796945 (E_RNA)
where:
Base-Base interactions energy: -122.612
where: short stacking energy: -70.657
Base-Backbone interact. energy: -0.003
local terms energy: -70.181015
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -176.787880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.787880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.787880 (E_RNA)
where:
Base-Base interactions energy: -113.284
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.017
local terms energy: -63.486528
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -178.271437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.271437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.271437 (E_RNA)
where:
Base-Base interactions energy: -116.759
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.050
local terms energy: -61.462262
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -171.178727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.178727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.178727 (E_RNA)
where:
Base-Base interactions energy: -103.704
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.094
local terms energy: -67.381001
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -170.034130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.034130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.034130 (E_RNA)
where:
Base-Base interactions energy: -101.534
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.287
local terms energy: -68.213015
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -173.886900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.886900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.886900 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -52.878
Base-Backbone interact. energy: 0.323
local terms energy: -58.447092
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -78.844695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.844695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.844695 (E_RNA)
where:
Base-Base interactions energy: -28.050
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.697
local terms energy: -50.097569
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -7.508
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -234.940199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.940199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.940199 (E_RNA)
where:
Base-Base interactions energy: -156.498
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.406
local terms energy: -78.036951
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -221.049827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.049827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.049827 (E_RNA)
where:
Base-Base interactions energy: -155.064
where: short stacking energy: -69.689
Base-Backbone interact. energy: -0.156
local terms energy: -65.829717
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -6.917
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: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -214.388541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.388541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.388541 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.593
local terms energy: -70.574511
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -191.629085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.629085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.629085 (E_RNA)
where:
Base-Base interactions energy: -123.541
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.100
local terms energy: -67.988532
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -187.206006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.206006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.206006 (E_RNA)
where:
Base-Base interactions energy: -118.120
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.013
local terms energy: -69.073282
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -16.576
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: 180
Temperature: 1.150000
Total energy: -184.647320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.647320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.647320 (E_RNA)
where:
Base-Base interactions energy: -113.979
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.177
local terms energy: -70.490623
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -162.475544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.475544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.475544 (E_RNA)
where:
Base-Base interactions energy: -100.220
where: short stacking energy: -46.827
Base-Backbone interact. energy: -0.087
local terms energy: -62.168206
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -181.899615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.899615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.899615 (E_RNA)
where:
Base-Base interactions energy: -112.707
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.019
local terms energy: -69.173708
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -169.921902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.921902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.921902 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -52.377
Base-Backbone interact. energy: 0.193
local terms energy: -61.575564
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -11.463
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: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -77.764744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.764744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.764744 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.545
local terms energy: -43.912936
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -236.773465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.773465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.773465 (E_RNA)
where:
Base-Base interactions energy: -161.162
where: short stacking energy: -64.953
Base-Backbone interact. energy: -1.192
local terms energy: -74.419260
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -209.768371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.768371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.768371 (E_RNA)
where:
Base-Base interactions energy: -139.174
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.704
local terms energy: -69.889976
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -189.321433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.321433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.321433 (E_RNA)
where:
Base-Base interactions energy: -129.239
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.701
local terms energy: -59.380904
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -13.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -185.130731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130731 (E_RNA)
where:
Base-Base interactions energy: -122.084
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.013
local terms energy: -63.033173
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -13.311
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: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -173.018270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.018270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.018270 (E_RNA)
where:
Base-Base interactions energy: -117.744
where: short stacking energy: -47.342
Base-Backbone interact. energy: -0.648
local terms energy: -54.626404
where:
bonds (distance) C4'-P energy: -7.480
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -13.109
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: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -160.637669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.637669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.637669 (E_RNA)
where:
Base-Base interactions energy: -107.933
where: short stacking energy: -45.744
Base-Backbone interact. energy: -0.785
local terms energy: -51.919609
where:
bonds (distance) C4'-P energy: -10.396
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -171.149393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149393 (E_RNA)
where:
Base-Base interactions energy: -118.044
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.131
local terms energy: -52.974514
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -7.317
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -174.269139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.269139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.269139 (E_RNA)
where:
Base-Base interactions energy: -112.785
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.060
local terms energy: -61.424416
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -172.347899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.347899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.347899 (E_RNA)
where:
Base-Base interactions energy: -108.291
where: short stacking energy: -51.522
Base-Backbone interact. energy: -0.128
local terms energy: -63.929299
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -83.537828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537828 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.119
local terms energy: -53.772287
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -203.315082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.315082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.315082 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -63.905
Base-Backbone interact. energy: -0.065
local terms energy: -73.796553
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -232.574147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.574147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.574147 (E_RNA)
where:
Base-Base interactions energy: -158.168
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.289
local terms energy: -74.116643
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -196.723388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.723388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.723388 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -54.762
Base-Backbone interact. energy: 0.031
local terms energy: -64.062843
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -8.610
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: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -189.725357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.725357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.725357 (E_RNA)
where:
Base-Base interactions energy: -118.101
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.421
local terms energy: -71.203039
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -11.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -184.404178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.404178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.404178 (E_RNA)
where:
Base-Base interactions energy: -117.892
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.085
local terms energy: -66.426575
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -186.292531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.292531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.292531 (E_RNA)
where:
Base-Base interactions energy: -116.985
where: short stacking energy: -58.364
Base-Backbone interact. energy: -0.001
local terms energy: -69.307223
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -168.857752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.857752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.857752 (E_RNA)
where:
Base-Base interactions energy: -101.899
where: short stacking energy: -53.378
Base-Backbone interact. energy: -0.032
local terms energy: -66.926684
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -163.375519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.375519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.375519 (E_RNA)
where:
Base-Base interactions energy: -109.168
where: short stacking energy: -58.372
Base-Backbone interact. energy: -0.037
local terms energy: -54.171042
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -3.262
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -167.012332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.012332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.012332 (E_RNA)
where:
Base-Base interactions energy: -110.652
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.336
local terms energy: -56.024254
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.420
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: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -79.207896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.207896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.207896 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.133
local terms energy: -47.540601
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -208.393645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.393645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393645 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -66.175
Base-Backbone interact. energy: 1.391
local terms energy: -78.008218
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -16.914
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: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -232.203273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.203273 (E_RNA)
where:
Base-Base interactions energy: -155.294
where: short stacking energy: -72.995
Base-Backbone interact. energy: -1.104
local terms energy: -75.805461
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -13.257
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: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -198.197087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.197087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.197087 (E_RNA)
where:
Base-Base interactions energy: -123.561
where: short stacking energy: -68.083
Base-Backbone interact. energy: -0.009
local terms energy: -74.627286
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -197.664593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.664593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.664593 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.001
local terms energy: -62.867894
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -185.253206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.253206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.253206 (E_RNA)
where:
Base-Base interactions energy: -120.383
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.063
local terms energy: -64.808007
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -185.427445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.427445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.427445 (E_RNA)
where:
Base-Base interactions energy: -119.445
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.001
local terms energy: -65.981028
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -177.246302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.246302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.246302 (E_RNA)
where:
Base-Base interactions energy: -114.135
where: short stacking energy: -54.783
Base-Backbone interact. energy: -0.331
local terms energy: -62.780010
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -159.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.487865 (E_RNA)
where:
Base-Base interactions energy: -104.169
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.013
local terms energy: -55.306677
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -156.897650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.897650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.897650 (E_RNA)
where:
Base-Base interactions energy: -104.823
where: short stacking energy: -56.072
Base-Backbone interact. energy: 0.122
local terms energy: -52.197193
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: 0.696
tors. eta vs tors. theta energy: -9.996
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: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -89.609381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609381 (E_RNA)
where:
Base-Base interactions energy: -43.210
where: short stacking energy: -30.110
Base-Backbone interact. energy: 0.420
local terms energy: -46.818763
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -236.132159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.132159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.132159 (E_RNA)
where:
Base-Base interactions energy: -167.306
where: short stacking energy: -79.875
Base-Backbone interact. energy: -0.988
local terms energy: -67.838155
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -9.041
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: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -201.660728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.660728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.660728 (E_RNA)
where:
Base-Base interactions energy: -129.571
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.105
local terms energy: -71.984829
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -194.989616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.989616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.989616 (E_RNA)
where:
Base-Base interactions energy: -125.278
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.068
local terms energy: -69.643324
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -177.251800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.251800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.251800 (E_RNA)
where:
Base-Base interactions energy: -119.028
where: short stacking energy: -60.281
Base-Backbone interact. energy: -0.060
local terms energy: -58.163365
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -7.022
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: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -174.841714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.841714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.841714 (E_RNA)
where:
Base-Base interactions energy: -100.360
where: short stacking energy: -44.721
Base-Backbone interact. energy: -0.002
local terms energy: -74.479572
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -10.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -181.556086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.556086 (E_RNA)
where:
Base-Base interactions energy: -112.668
where: short stacking energy: -50.390
Base-Backbone interact. energy: -1.218
local terms energy: -67.669702
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -173.284922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.284922 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -53.642
Base-Backbone interact. energy: -0.079
local terms energy: -57.632460
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -170.005537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.005537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.005537 (E_RNA)
where:
Base-Base interactions energy: -108.330
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.601
local terms energy: -61.074367
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.420
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -92.592742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.592742 (E_RNA)
where:
Base-Base interactions energy: -45.470
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.136
local terms energy: -46.986125
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -6.600
flat angles P-C4'-P energy: -8.518
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: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -153.123398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.123398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.123398 (E_RNA)
where:
Base-Base interactions energy: -94.081
where: short stacking energy: -47.628
Base-Backbone interact. energy: 0.051
local terms energy: -59.093073
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -242.643831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.643831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.643831 (E_RNA)
where:
Base-Base interactions energy: -166.477
where: short stacking energy: -84.571
Base-Backbone interact. energy: -0.798
local terms energy: -75.369180
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -194.763074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.763074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.763074 (E_RNA)
where:
Base-Base interactions energy: -119.606
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.264
local terms energy: -74.893211
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -209.600240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.600240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.600240 (E_RNA)
where:
Base-Base interactions energy: -133.283
where: short stacking energy: -71.525
Base-Backbone interact. energy: 0.483
local terms energy: -76.800663
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.607
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: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -183.841431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.841431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.841431 (E_RNA)
where:
Base-Base interactions energy: -121.113
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.710
local terms energy: -62.018137
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -185.098460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.098460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.098460 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -64.503
Base-Backbone interact. energy: -0.113
local terms energy: -56.799282
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -181.365606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.365606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.365606 (E_RNA)
where:
Base-Base interactions energy: -114.864
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.071
local terms energy: -66.429691
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -179.347370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.347370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.347370 (E_RNA)
where:
Base-Base interactions energy: -120.895
where: short stacking energy: -58.105
Base-Backbone interact. energy: 0.838
local terms energy: -59.290837
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -8.202
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: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -160.157366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157366 (E_RNA)
where:
Base-Base interactions energy: -104.508
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.902
local terms energy: -54.747406
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -93.839122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839122 (E_RNA)
where:
Base-Base interactions energy: -36.276
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.228
local terms energy: -57.335324
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -153.690941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.690941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.690941 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.080
local terms energy: -63.803920
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -9.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -204.810898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.810898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.810898 (E_RNA)
where:
Base-Base interactions energy: -128.046
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.008
local terms energy: -76.757477
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -16.791
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: 186
Temperature: 0.950000
Total energy: -230.489910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.489910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.489910 (E_RNA)
where:
Base-Base interactions energy: -161.359
where: short stacking energy: -60.775
Base-Backbone interact. energy: 0.631
local terms energy: -69.761599
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -186.981194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.981194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.981194 (E_RNA)
where:
Base-Base interactions energy: -117.858
where: short stacking energy: -57.744
Base-Backbone interact. energy: 0.232
local terms energy: -69.356063
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -13.200
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: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -201.633838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.633838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.633838 (E_RNA)
where:
Base-Base interactions energy: -141.623
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.806
local terms energy: -59.204841
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -8.083
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: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -179.789122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.789122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.789122 (E_RNA)
where:
Base-Base interactions energy: -118.540
where: short stacking energy: -58.821
Base-Backbone interact. energy: 0.883
local terms energy: -62.132138
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -173.183829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.183829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.183829 (E_RNA)
where:
Base-Base interactions energy: -104.800
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.019
local terms energy: -68.364623
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -13.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -168.502903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.502903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.502903 (E_RNA)
where:
Base-Base interactions energy: -106.985
where: short stacking energy: -47.679
Base-Backbone interact. energy: -0.127
local terms energy: -61.390973
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -11.386
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: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -184.599265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.599265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.599265 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -60.355
Base-Backbone interact. energy: 0.832
local terms energy: -67.125639
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -156.889070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.889070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.889070 (E_RNA)
where:
Base-Base interactions energy: -103.762
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.259
local terms energy: -52.868313
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -81.150141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150141 (E_RNA)
where:
Base-Base interactions energy: -26.753
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.096
local terms energy: -54.301038
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -6.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -220.422309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.422309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.422309 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.008
local terms energy: -74.368069
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -227.691642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.691642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.691642 (E_RNA)
where:
Base-Base interactions energy: -158.410
where: short stacking energy: -63.129
Base-Backbone interact. energy: -0.759
local terms energy: -68.523278
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -202.854398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.854398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.854398 (E_RNA)
where:
Base-Base interactions energy: -129.742
where: short stacking energy: -69.080
Base-Backbone interact. energy: -0.086
local terms energy: -73.026774
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -180.414297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.414297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.414297 (E_RNA)
where:
Base-Base interactions energy: -119.286
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.395
local terms energy: -60.732835
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -194.499361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.499361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.499361 (E_RNA)
where:
Base-Base interactions energy: -126.052
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.544
local terms energy: -67.903557
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -14.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -156.745451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.745451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.745451 (E_RNA)
where:
Base-Base interactions energy: -104.330
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.198
local terms energy: -52.218162
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -174.149892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.149892 (E_RNA)
where:
Base-Base interactions energy: -111.990
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.031
local terms energy: -62.129031
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -175.888269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.888269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.888269 (E_RNA)
where:
Base-Base interactions energy: -113.457
where: short stacking energy: -59.687
Base-Backbone interact. energy: 0.258
local terms energy: -62.688992
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -161.764113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.764113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.764113 (E_RNA)
where:
Base-Base interactions energy: -113.061
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.284
local terms energy: -48.418687
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -87.381757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381757 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -28.741
Base-Backbone interact. energy: -0.366
local terms energy: -53.079370
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -215.618104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.618104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.618104 (E_RNA)
where:
Base-Base interactions energy: -140.976
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.019
local terms energy: -74.623544
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -17.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -235.412507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.412507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.412507 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -66.363
Base-Backbone interact. energy: 2.956
local terms energy: -80.783169
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -196.800110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.800110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.800110 (E_RNA)
where:
Base-Base interactions energy: -126.553
where: short stacking energy: -56.449
Base-Backbone interact. energy: -0.177
local terms energy: -70.070173
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -190.451589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.451589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.451589 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -54.110
Base-Backbone interact. energy: -0.202
local terms energy: -61.687257
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -8.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -177.806255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.806255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.806255 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.067
local terms energy: -58.218726
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -10.269
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.699
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: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -183.088042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.088042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.088042 (E_RNA)
where:
Base-Base interactions energy: -115.453
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.893
local terms energy: -66.741900
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -16.254
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -176.434554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.434554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.434554 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -56.318
Base-Backbone interact. energy: -1.104
local terms energy: -55.683403
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -165.163586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.163586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.163586 (E_RNA)
where:
Base-Base interactions energy: -109.298
where: short stacking energy: -46.634
Base-Backbone interact. energy: 1.378
local terms energy: -57.243381
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -166.912017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.912017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.912017 (E_RNA)
where:
Base-Base interactions energy: -104.993
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.026
local terms energy: -61.893176
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -12.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -86.119651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.119651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.119651 (E_RNA)
where:
Base-Base interactions energy: -29.502
where: short stacking energy: -29.502
Base-Backbone interact. energy: -0.184
local terms energy: -56.433160
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -10.618
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: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -205.878199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.878199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.878199 (E_RNA)
where:
Base-Base interactions energy: -131.770
where: short stacking energy: -60.072
Base-Backbone interact. energy: -0.602
local terms energy: -73.506183
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -243.323569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.323569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.323569 (E_RNA)
where:
Base-Base interactions energy: -164.741
where: short stacking energy: -54.663
Base-Backbone interact. energy: -1.912
local terms energy: -76.669947
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -16.005
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: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -200.951299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.951299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.951299 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.122
local terms energy: -73.194143
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -193.294569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294569 (E_RNA)
where:
Base-Base interactions energy: -120.921
where: short stacking energy: -62.625
Base-Backbone interact. energy: -0.145
local terms energy: -72.228483
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -12.370
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: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -181.559951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.559951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.559951 (E_RNA)
where:
Base-Base interactions energy: -106.961
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.012
local terms energy: -74.587863
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -174.448800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.448800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.448800 (E_RNA)
where:
Base-Base interactions energy: -110.156
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.118
local terms energy: -64.175269
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -179.815661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.815661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.815661 (E_RNA)
where:
Base-Base interactions energy: -117.524
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.029
local terms energy: -62.263324
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -181.252723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.252723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.252723 (E_RNA)
where:
Base-Base interactions energy: -123.486
where: short stacking energy: -56.175
Base-Backbone interact. energy: -0.871
local terms energy: -56.895206
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -6.616
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: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -168.712647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.712647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.712647 (E_RNA)
where:
Base-Base interactions energy: -110.528
where: short stacking energy: -51.374
Base-Backbone interact. energy: -0.265
local terms energy: -57.919938
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -12.117
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: 189
Temperature: 1.350000
Total energy: -98.080980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.080980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.080980 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.001
local terms energy: -57.088984
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -235.315114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.315114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.315114 (E_RNA)
where:
Base-Base interactions energy: -165.681
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.880
local terms energy: -68.754410
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -207.584551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.584551 (E_RNA)
where:
Base-Base interactions energy: -135.376
where: short stacking energy: -62.638
Base-Backbone interact. energy: -0.109
local terms energy: -72.100171
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -16.317
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: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -189.098366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.098366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.098366 (E_RNA)
where:
Base-Base interactions energy: -125.677
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.066
local terms energy: -63.355822
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -189.739155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.739155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.739155 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.453
local terms energy: -70.596444
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -187.975658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.975658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.975658 (E_RNA)
where:
Base-Base interactions energy: -125.755
where: short stacking energy: -59.455
Base-Backbone interact. energy: 0.131
local terms energy: -62.351562
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -11.487
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -176.356733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.356733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.356733 (E_RNA)
where:
Base-Base interactions energy: -113.699
where: short stacking energy: -62.709
Base-Backbone interact. energy: -0.048
local terms energy: -62.610023
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -3.536
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -179.321038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.321038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.321038 (E_RNA)
where:
Base-Base interactions energy: -117.470
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.060
local terms energy: -61.791028
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -168.754898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.754898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.754898 (E_RNA)
where:
Base-Base interactions energy: -102.877
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.479
local terms energy: -65.399713
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.508475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.508475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.508475 (E_RNA)
where:
Base-Base interactions energy: -32.688
where: short stacking energy: -32.479
Base-Backbone interact. energy: -0.077
local terms energy: -50.743575
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -152.846498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.846498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.846498 (E_RNA)
where:
Base-Base interactions energy: -94.047
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.019
local terms energy: -58.780766
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -246.657269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.657269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.657269 (E_RNA)
where:
Base-Base interactions energy: -167.875
where: short stacking energy: -78.444
Base-Backbone interact. energy: -0.080
local terms energy: -78.701796
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -205.684114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.684114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.684114 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -61.485
Base-Backbone interact. energy: 0.337
local terms energy: -67.946039
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -200.481198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.481198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.481198 (E_RNA)
where:
Base-Base interactions energy: -139.839
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.235
local terms energy: -60.407656
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -11.455
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: 191
Temperature: 1.050000
Total energy: -191.288826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.288826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.288826 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -64.594
Base-Backbone interact. energy: -0.054
local terms energy: -75.504767
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -179.342301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.342301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.342301 (E_RNA)
where:
Base-Base interactions energy: -110.596
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.160
local terms energy: -68.585945
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -182.398506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.398506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.398506 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -51.505
Base-Backbone interact. energy: -0.872
local terms energy: -57.788464
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -190.061494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.061494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.061494 (E_RNA)
where:
Base-Base interactions energy: -120.477
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.052
local terms energy: -69.533130
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -6.211
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: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -166.124576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.124576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.124576 (E_RNA)
where:
Base-Base interactions energy: -116.847
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.293
local terms energy: -48.984707
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -5.678
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: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -159.098132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.098132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.098132 (E_RNA)
where:
Base-Base interactions energy: -96.248
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.866
local terms energy: -61.984472
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -6.853
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: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -151.238217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.238217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.238217 (E_RNA)
where:
Base-Base interactions energy: -95.974
where: short stacking energy: -46.077
Base-Backbone interact. energy: -0.294
local terms energy: -54.969984
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -6.390
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: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -249.587776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.587776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.587776 (E_RNA)
where:
Base-Base interactions energy: -178.310
where: short stacking energy: -74.808
Base-Backbone interact. energy: -0.170
local terms energy: -71.108351
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.586
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: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -204.664096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.664096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.664096 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.047
local terms energy: -83.555546
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -195.131279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.131279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.131279 (E_RNA)
where:
Base-Base interactions energy: -128.221
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.000
local terms energy: -66.909774
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.375
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: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -191.223060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.223060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.223060 (E_RNA)
where:
Base-Base interactions energy: -126.208
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.017
local terms energy: -64.998021
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -185.212861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.212861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.212861 (E_RNA)
where:
Base-Base interactions energy: -112.004
where: short stacking energy: -65.664
Base-Backbone interact. energy: -0.017
local terms energy: -73.191086
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -17.661
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: 1
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -178.528015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.528015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.528015 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.412
local terms energy: -59.070348
where:
bonds (distance) C4'-P energy: -7.558
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -172.189383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.189383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.189383 (E_RNA)
where:
Base-Base interactions energy: -116.892
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.060
local terms energy: -55.236605
where:
bonds (distance) C4'-P energy: -6.235
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -171.395194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395194 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -45.746
Base-Backbone interact. energy: -0.322
local terms energy: -53.523758
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -2.824
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -162.771694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.771694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.771694 (E_RNA)
where:
Base-Base interactions energy: -99.870
where: short stacking energy: -52.073
Base-Backbone interact. energy: -0.008
local terms energy: -62.894105
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -7.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -142.411823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.411823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.411823 (E_RNA)
where:
Base-Base interactions energy: -89.651
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.214
local terms energy: -52.547128
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -11.372
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: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -240.205048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.205048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.205048 (E_RNA)
where:
Base-Base interactions energy: -159.960
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.309
local terms energy: -79.935973
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -205.062693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.062693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.062693 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.026
local terms energy: -73.418830
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.035
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: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -197.128861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.128861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.128861 (E_RNA)
where:
Base-Base interactions energy: -131.313
where: short stacking energy: -63.464
Base-Backbone interact. energy: 0.743
local terms energy: -66.558841
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -196.244889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.244889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.244889 (E_RNA)
where:
Base-Base interactions energy: -125.544
where: short stacking energy: -59.223
Base-Backbone interact. energy: -0.551
local terms energy: -70.149896
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -16.678
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: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -181.149786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.149786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.149786 (E_RNA)
where:
Base-Base interactions energy: -113.934
where: short stacking energy: -50.880
Base-Backbone interact. energy: 0.075
local terms energy: -67.291575
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -193.220434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.220434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.220434 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.001
local terms energy: -68.367532
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -183.645799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645799 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -64.811
Base-Backbone interact. energy: -0.005
local terms energy: -68.106113
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -167.819407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.819407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.819407 (E_RNA)
where:
Base-Base interactions energy: -105.913
where: short stacking energy: -53.099
Base-Backbone interact. energy: -0.134
local terms energy: -61.771860
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -14.057
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: 193
Temperature: 1.300000
Total energy: -154.246119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.246119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.246119 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -42.620
Base-Backbone interact. energy: -0.063
local terms energy: -58.886122
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -147.669663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.669663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.669663 (E_RNA)
where:
Base-Base interactions energy: -101.148
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.020
local terms energy: -46.501790
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -204.949758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.949758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.949758 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.757
local terms energy: -69.134271
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -12.620
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: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -231.004836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.004836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.004836 (E_RNA)
where:
Base-Base interactions energy: -163.112
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.374
local terms energy: -67.518680
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -218.691651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.691651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.691651 (E_RNA)
where:
Base-Base interactions energy: -137.430
where: short stacking energy: -72.639
Base-Backbone interact. energy: -0.030
local terms energy: -81.231582
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -18.527
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -199.554053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.554053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.554053 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -67.390
Base-Backbone interact. energy: -0.122
local terms energy: -70.947768
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -15.271
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -188.651966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.651966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.651966 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.473
local terms energy: -61.584904
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -14.240
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: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -184.603565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603565 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -60.694
Base-Backbone interact. energy: -0.057
local terms energy: -66.337642
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -19.373
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: 5
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -179.533714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.533714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.533714 (E_RNA)
where:
Base-Base interactions energy: -114.118
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.389
local terms energy: -65.026275
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -10.784
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: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -171.846018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.846018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.846018 (E_RNA)
where:
Base-Base interactions energy: -106.535
where: short stacking energy: -53.211
Base-Backbone interact. energy: -0.436
local terms energy: -64.874816
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -15.096
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: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -161.680419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.680419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.680419 (E_RNA)
where:
Base-Base interactions energy: -106.045
where: short stacking energy: -42.253
Base-Backbone interact. energy: -0.016
local terms energy: -55.619314
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -9.171
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -151.661687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.661687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.661687 (E_RNA)
where:
Base-Base interactions energy: -99.454
where: short stacking energy: -36.844
Base-Backbone interact. energy: -0.238
local terms energy: -51.969724
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -6.582
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -203.074698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074698 (E_RNA)
where:
Base-Base interactions energy: -132.775
where: short stacking energy: -66.008
Base-Backbone interact. energy: -0.604
local terms energy: -69.695721
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -18.608
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: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -232.945660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.945660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.945660 (E_RNA)
where:
Base-Base interactions energy: -163.243
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.270
local terms energy: -69.432590
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -186.553517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.553517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.553517 (E_RNA)
where:
Base-Base interactions energy: -119.221
where: short stacking energy: -59.298
Base-Backbone interact. energy: -0.142
local terms energy: -67.189716
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -190.270813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.270813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.270813 (E_RNA)
where:
Base-Base interactions energy: -126.446
where: short stacking energy: -64.319
Base-Backbone interact. energy: -1.025
local terms energy: -62.799976
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -10.878
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -192.409785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.409785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.409785 (E_RNA)
where:
Base-Base interactions energy: -123.207
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.239
local terms energy: -68.963536
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -12.198
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: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -177.088059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.088059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.088059 (E_RNA)
where:
Base-Base interactions energy: -111.569
where: short stacking energy: -54.772
Base-Backbone interact. energy: -0.053
local terms energy: -65.466271
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -167.850915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.850915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.850915 (E_RNA)
where:
Base-Base interactions energy: -107.837
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.456
local terms energy: -59.557770
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -10.741
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -173.966697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.966697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.966697 (E_RNA)
where:
Base-Base interactions energy: -107.740
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.091
local terms energy: -66.135735
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -160.521501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.521501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.521501 (E_RNA)
where:
Base-Base interactions energy: -100.164
where: short stacking energy: -40.513
Base-Backbone interact. energy: 1.568
local terms energy: -61.925047
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -7.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -161.891193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.891193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.891193 (E_RNA)
where:
Base-Base interactions energy: -102.527
where: short stacking energy: -45.532
Base-Backbone interact. energy: -0.195
local terms energy: -59.169572
where:
bonds (distance) C4'-P energy: -5.961
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -8.465
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: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -235.981694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.981694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.981694 (E_RNA)
where:
Base-Base interactions energy: -168.698
where: short stacking energy: -61.956
Base-Backbone interact. energy: -0.277
local terms energy: -67.006411
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.675
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: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -202.036684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.036684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.036684 (E_RNA)
where:
Base-Base interactions energy: -127.174
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.449
local terms energy: -74.414002
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.145
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: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -202.764500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.764500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.764500 (E_RNA)
where:
Base-Base interactions energy: -136.407
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.075
local terms energy: -66.282685
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -187.370508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.370508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.370508 (E_RNA)
where:
Base-Base interactions energy: -115.072
where: short stacking energy: -55.925
Base-Backbone interact. energy: 1.383
local terms energy: -73.680994
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -193.648317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.648317 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.003
local terms energy: -73.447230
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -176.112900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112900 (E_RNA)
where:
Base-Base interactions energy: -106.275
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.228
local terms energy: -69.609444
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -14.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -192.228388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.228388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.228388 (E_RNA)
where:
Base-Base interactions energy: -128.220
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.827
local terms energy: -63.180615
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -13.501
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -169.420456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.420456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.420456 (E_RNA)
where:
Base-Base interactions energy: -111.602
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.496
local terms energy: -57.322723
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -157.431889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.431889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.431889 (E_RNA)
where:
Base-Base interactions energy: -103.560
where: short stacking energy: -47.447
Base-Backbone interact. energy: -0.147
local terms energy: -53.724342
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -156.528584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.528584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.528584 (E_RNA)
where:
Base-Base interactions energy: -97.968
where: short stacking energy: -43.760
Base-Backbone interact. energy: -0.524
local terms energy: -58.036230
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -14.480
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: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -229.944842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.944842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.944842 (E_RNA)
where:
Base-Base interactions energy: -157.802
where: short stacking energy: -70.144
Base-Backbone interact. energy: 0.234
local terms energy: -72.376989
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -16.526
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: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -196.460633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.460633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.460633 (E_RNA)
where:
Base-Base interactions energy: -131.071
where: short stacking energy: -62.315
Base-Backbone interact. energy: 1.560
local terms energy: -66.950021
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -202.241051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.241051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.241051 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -56.763
Base-Backbone interact. energy: -0.566
local terms energy: -66.418688
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -14.716
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: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -194.833942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.833942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.833942 (E_RNA)
where:
Base-Base interactions energy: -128.210
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.103
local terms energy: -66.520445
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -15.522
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: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -182.954301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.954301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.954301 (E_RNA)
where:
Base-Base interactions energy: -117.177
where: short stacking energy: -52.895
Base-Backbone interact. energy: -0.055
local terms energy: -65.722708
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -9.293
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -183.821283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.821283 (E_RNA)
where:
Base-Base interactions energy: -124.785
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.008
local terms energy: -59.028743
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.985
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: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -176.909866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.909866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.909866 (E_RNA)
where:
Base-Base interactions energy: -116.055
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.148
local terms energy: -60.707659
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -165.021877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.021877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.021877 (E_RNA)
where:
Base-Base interactions energy: -97.676
where: short stacking energy: -49.129
Base-Backbone interact. energy: 1.159
local terms energy: -68.505123
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.527
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: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -148.544350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.544350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.544350 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -50.825
Base-Backbone interact. energy: 1.535
local terms energy: -47.472616
where:
bonds (distance) C4'-P energy: -1.283
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -158.999141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.999141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.999141 (E_RNA)
where:
Base-Base interactions energy: -104.426
where: short stacking energy: -49.398
Base-Backbone interact. energy: -1.419
local terms energy: -53.153995
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -7.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -237.938962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.938962 (E_RNA)
where:
Base-Base interactions energy: -167.985
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.578
local terms energy: -69.375677
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -6.440
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: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -200.254114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.254114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.254114 (E_RNA)
where:
Base-Base interactions energy: -134.147
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.012
local terms energy: -66.094792
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -14.057
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: 198
Temperature: 1.000000
Total energy: -195.328794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.328794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.328794 (E_RNA)
where:
Base-Base interactions energy: -122.241
where: short stacking energy: -71.568
Base-Backbone interact. energy: -0.416
local terms energy: -72.672069
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -197.812643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.812643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.812643 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.519
local terms energy: -69.607489
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -182.800701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.800701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.800701 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -62.861
Base-Backbone interact. energy: -0.082
local terms energy: -64.792386
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -189.248431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.248431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.248431 (E_RNA)
where:
Base-Base interactions energy: -125.217
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.397
local terms energy: -63.634469
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -163.544358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.544358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.544358 (E_RNA)
where:
Base-Base interactions energy: -99.151
where: short stacking energy: -49.206
Base-Backbone interact. energy: -0.207
local terms energy: -64.186142
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -163.997958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.997958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.997958 (E_RNA)
where:
Base-Base interactions energy: -106.579
where: short stacking energy: -53.309
Base-Backbone interact. energy: -0.008
local terms energy: -57.411088
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -170.825974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.825974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.825974 (E_RNA)
where:
Base-Base interactions energy: -105.635
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.142
local terms energy: -65.049644
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -150.099135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.099135 (E_RNA)
where:
Base-Base interactions energy: -101.645
where: short stacking energy: -47.300
Base-Backbone interact. energy: -0.106
local terms energy: -48.347931
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -1.082
tors. eta vs tors. theta energy: -11.643
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: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -234.550582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.550582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.550582 (E_RNA)
where:
Base-Base interactions energy: -153.917
where: short stacking energy: -76.159
Base-Backbone interact. energy: -1.003
local terms energy: -79.630493
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -198.251853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251853 (E_RNA)
where:
Base-Base interactions energy: -125.853
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.179
local terms energy: -72.219892
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -199.806280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.806280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.806280 (E_RNA)
where:
Base-Base interactions energy: -132.164
where: short stacking energy: -53.569
Base-Backbone interact. energy: -0.108
local terms energy: -67.533657
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -192.238679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.238679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.238679 (E_RNA)
where:
Base-Base interactions energy: -121.038
where: short stacking energy: -68.078
Base-Backbone interact. energy: 0.913
local terms energy: -72.113627
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -187.565693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.565693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.565693 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.499
local terms energy: -64.919719
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -14.741
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: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -176.247341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.247341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.247341 (E_RNA)
where:
Base-Base interactions energy: -111.329
where: short stacking energy: -64.762
Base-Backbone interact. energy: 0.465
local terms energy: -65.383570
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -6.856
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: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -183.191387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.191387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.191387 (E_RNA)
where:
Base-Base interactions energy: -116.867
where: short stacking energy: -60.488
Base-Backbone interact. energy: 4.071
local terms energy: -70.396135
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -182.186619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.186619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.186619 (E_RNA)
where:
Base-Base interactions energy: -121.059
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.121
local terms energy: -61.007042
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -13.843
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: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -152.405866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.405866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.405866 (E_RNA)
where:
Base-Base interactions energy: -90.718
where: short stacking energy: -40.429
Base-Backbone interact. energy: -0.119
local terms energy: -61.568227
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -90.466673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.466673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.466673 (E_RNA)
where:
Base-Base interactions energy: -50.968
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.050
local terms energy: -39.448382
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -235.742697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.742697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.742697 (E_RNA)
where:
Base-Base interactions energy: -161.418
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.317
local terms energy: -74.007815
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -18.208
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: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -214.740444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.740444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.740444 (E_RNA)
where:
Base-Base interactions energy: -145.812
where: short stacking energy: -68.263
Base-Backbone interact. energy: -1.326
local terms energy: -67.603051
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -17.774
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -195.138073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.138073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.138073 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.248
local terms energy: -67.291923
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -15.198
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: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -184.195461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.195461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.195461 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -52.928
Base-Backbone interact. energy: 0.049
local terms energy: -65.857443
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -181.116212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.116212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116212 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.883
local terms energy: -62.271319
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -173.517765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.517765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.517765 (E_RNA)
where:
Base-Base interactions energy: -114.376
where: short stacking energy: -54.630
Base-Backbone interact. energy: -0.168
local terms energy: -58.974183
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -178.805604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.805604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.805604 (E_RNA)
where:
Base-Base interactions energy: -115.352
where: short stacking energy: -62.329
Base-Backbone interact. energy: -1.451
local terms energy: -62.003081
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -172.765888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.765888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.765888 (E_RNA)
where:
Base-Base interactions energy: -106.806
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.023
local terms energy: -65.936563
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -155.113877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.113877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.113877 (E_RNA)
where:
Base-Base interactions energy: -98.602
where: short stacking energy: -42.126
Base-Backbone interact. energy: -0.135
local terms energy: -56.376234
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -99.481620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.481620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.481620 (E_RNA)
where:
Base-Base interactions energy: -39.337
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.091
local terms energy: -60.053551
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -9.311
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: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -238.530600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.530600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.530600 (E_RNA)
where:
Base-Base interactions energy: -163.345
where: short stacking energy: -72.236
Base-Backbone interact. energy: 0.095
local terms energy: -75.280617
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -212.502875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502875 (E_RNA)
where:
Base-Base interactions energy: -142.796
where: short stacking energy: -76.106
Base-Backbone interact. energy: -0.401
local terms energy: -69.306150
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -191.726726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.726726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.726726 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -64.333
Base-Backbone interact. energy: 1.995
local terms energy: -68.670528
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -190.026336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.026336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.026336 (E_RNA)
where:
Base-Base interactions energy: -126.447
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.035
local terms energy: -63.545020
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -178.112531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.112531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.112531 (E_RNA)
where:
Base-Base interactions energy: -123.147
where: short stacking energy: -64.937
Base-Backbone interact. energy: 0.303
local terms energy: -55.269226
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -1.533
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -184.487694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.487694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.487694 (E_RNA)
where:
Base-Base interactions energy: -117.600
where: short stacking energy: -62.532
Base-Backbone interact. energy: -0.188
local terms energy: -66.699201
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -172.489866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.489866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.489866 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -53.267
Base-Backbone interact. energy: 2.849
local terms energy: -67.528037
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -171.500754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.500754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.500754 (E_RNA)
where:
Base-Base interactions energy: -107.028
where: short stacking energy: -52.716
Base-Backbone interact. energy: -0.168
local terms energy: -64.304810
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -165.846057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846057 (E_RNA)
where:
Base-Base interactions energy: -104.092
where: short stacking energy: -44.379
Base-Backbone interact. energy: -0.029
local terms energy: -61.724635
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -11.282
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: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -80.420532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420532 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -29.469
Base-Backbone interact. energy: -0.192
local terms energy: -43.133462
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -237.807609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.807609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.807609 (E_RNA)
where:
Base-Base interactions energy: -162.739
where: short stacking energy: -64.985
Base-Backbone interact. energy: -0.905
local terms energy: -74.163983
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -194.845921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.845921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.845921 (E_RNA)
where:
Base-Base interactions energy: -126.017
where: short stacking energy: -66.441
Base-Backbone interact. energy: -0.003
local terms energy: -68.826422
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -196.373206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.373206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.373206 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.010
local terms energy: -70.091640
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -194.244003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.244003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.244003 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.008
local terms energy: -64.433113
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -189.072511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.072511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.072511 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.165
local terms energy: -66.649496
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -12.274
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: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -175.725513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.725513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.725513 (E_RNA)
where:
Base-Base interactions energy: -113.137
where: short stacking energy: -48.869
Base-Backbone interact. energy: -0.014
local terms energy: -62.574257
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -11.080
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: 202
Temperature: 1.200000
Total energy: -177.339153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.339153 (E_RNA)
where:
Base-Base interactions energy: -124.004
where: short stacking energy: -42.014
Base-Backbone interact. energy: -0.526
local terms energy: -52.808839
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -164.331898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.331898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.331898 (E_RNA)
where:
Base-Base interactions energy: -106.607
where: short stacking energy: -49.225
Base-Backbone interact. energy: -0.167
local terms energy: -57.558323
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -8.809
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: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -153.130104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.130104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.130104 (E_RNA)
where:
Base-Base interactions energy: -98.681
where: short stacking energy: -49.006
Base-Backbone interact. energy: -0.298
local terms energy: -54.151811
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.045127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.045127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.045127 (E_RNA)
where:
Base-Base interactions energy: -30.919
where: short stacking energy: -28.925
Base-Backbone interact. energy: -0.297
local terms energy: -48.828666
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -8.314
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -5.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -239.165629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.165629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.165629 (E_RNA)
where:
Base-Base interactions energy: -160.654
where: short stacking energy: -70.775
Base-Backbone interact. energy: -0.195
local terms energy: -78.316844
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -18.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -195.786310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.786310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.786310 (E_RNA)
where:
Base-Base interactions energy: -125.539
where: short stacking energy: -71.247
Base-Backbone interact. energy: -0.006
local terms energy: -70.241898
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -199.532761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.532761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.532761 (E_RNA)
where:
Base-Base interactions energy: -122.997
where: short stacking energy: -55.174
Base-Backbone interact. energy: -0.102
local terms energy: -76.433494
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -17.651
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: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -198.303865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.303865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.303865 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.147
local terms energy: -72.537114
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -174.998017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.998017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.998017 (E_RNA)
where:
Base-Base interactions energy: -109.848
where: short stacking energy: -49.411
Base-Backbone interact. energy: -0.127
local terms energy: -65.022849
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -182.454539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.454539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.454539 (E_RNA)
where:
Base-Base interactions energy: -117.687
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.243
local terms energy: -64.523705
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -11.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -169.693019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.693019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.693019 (E_RNA)
where:
Base-Base interactions energy: -118.117
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.038
local terms energy: -51.537818
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -7.825
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: 203
Temperature: 1.250000
Total energy: -144.211605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.211605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.211605 (E_RNA)
where:
Base-Base interactions energy: -90.443
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.461
local terms energy: -53.307463
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -160.570645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.570645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.570645 (E_RNA)
where:
Base-Base interactions energy: -101.464
where: short stacking energy: -51.952
Base-Backbone interact. energy: -0.368
local terms energy: -58.738207
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -82.662694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.662694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.662694 (E_RNA)
where:
Base-Base interactions energy: -36.408
where: short stacking energy: -27.233
Base-Backbone interact. energy: -0.535
local terms energy: -45.719177
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -2.439
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: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -241.744953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.744953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.744953 (E_RNA)
where:
Base-Base interactions energy: -163.189
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.066
local terms energy: -78.489977
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -195.769692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.769692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.769692 (E_RNA)
where:
Base-Base interactions energy: -126.032
where: short stacking energy: -63.101
Base-Backbone interact. energy: -0.017
local terms energy: -69.720654
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -14.787
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: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -203.970161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970161 (E_RNA)
where:
Base-Base interactions energy: -134.207
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.528
local terms energy: -69.234937
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.032
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: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -194.305947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.305947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.305947 (E_RNA)
where:
Base-Base interactions energy: -128.217
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.454
local terms energy: -65.634700
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -190.378722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.378722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.378722 (E_RNA)
where:
Base-Base interactions energy: -125.555
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.684
local terms energy: -64.139942
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -2.261
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -183.677444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.677444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.677444 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.087
local terms energy: -65.943768
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -8.479
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -168.945113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.945113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.945113 (E_RNA)
where:
Base-Base interactions energy: -108.845
where: short stacking energy: -46.497
Base-Backbone interact. energy: 0.111
local terms energy: -60.211479
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -171.498636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.498636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.498636 (E_RNA)
where:
Base-Base interactions energy: -105.560
where: short stacking energy: -52.258
Base-Backbone interact. energy: -0.121
local terms energy: -65.816988
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -158.421770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.421770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.421770 (E_RNA)
where:
Base-Base interactions energy: -100.541
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.484
local terms energy: -57.396114
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -89.391139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.391139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.391139 (E_RNA)
where:
Base-Base interactions energy: -39.767
where: short stacking energy: -34.613
Base-Backbone interact. energy: 0.295
local terms energy: -49.919057
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.288
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: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -242.004077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.004077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.004077 (E_RNA)
where:
Base-Base interactions energy: -166.643
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.338
local terms energy: -75.023762
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -208.379240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.379240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.379240 (E_RNA)
where:
Base-Base interactions energy: -138.944
where: short stacking energy: -64.262
Base-Backbone interact. energy: -0.109
local terms energy: -69.325945
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.426
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -176.580239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.580239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.580239 (E_RNA)
where:
Base-Base interactions energy: -117.083
where: short stacking energy: -56.250
Base-Backbone interact. energy: -0.167
local terms energy: -59.329945
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -197.030486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.030486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.030486 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.151
local terms energy: -72.446529
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -17.449
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: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -193.485503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.485503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.485503 (E_RNA)
where:
Base-Base interactions energy: -124.346
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.471
local terms energy: -68.668237
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -179.876377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.876377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.876377 (E_RNA)
where:
Base-Base interactions energy: -111.018
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.017
local terms energy: -68.841484
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -191.361749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.361749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.361749 (E_RNA)
where:
Base-Base interactions energy: -121.225
where: short stacking energy: -60.230
Base-Backbone interact. energy: -1.192
local terms energy: -68.944950
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -16.862
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: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -172.532562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.532562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.532562 (E_RNA)
where:
Base-Base interactions energy: -115.201
where: short stacking energy: -59.851
Base-Backbone interact. energy: 0.101
local terms energy: -57.433009
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -9.264
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -149.029892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.029892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.029892 (E_RNA)
where:
Base-Base interactions energy: -89.517
where: short stacking energy: -39.225
Base-Backbone interact. energy: 0.094
local terms energy: -59.607329
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -81.751683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.751683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.751683 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -35.370
Base-Backbone interact. energy: 1.384
local terms energy: -47.876350
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -17.397
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -240.392375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.392375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.392375 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.643
local terms energy: -70.558466
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -205.302323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.302323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.302323 (E_RNA)
where:
Base-Base interactions energy: -136.553
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.052
local terms energy: -68.698044
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -6.744
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -11.999
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: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -197.534790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.534790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.534790 (E_RNA)
where:
Base-Base interactions energy: -131.398
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.052
local terms energy: -66.084992
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -12.706
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -183.721273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.721273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721273 (E_RNA)
where:
Base-Base interactions energy: -119.200
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.025
local terms energy: -64.495599
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -11.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -170.522857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.522857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.522857 (E_RNA)
where:
Base-Base interactions energy: -115.563
where: short stacking energy: -53.406
Base-Backbone interact. energy: -0.626
local terms energy: -54.334398
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -179.478602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.478602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.478602 (E_RNA)
where:
Base-Base interactions energy: -113.304
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.083
local terms energy: -66.091587
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -171.217118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.217118 (E_RNA)
where:
Base-Base interactions energy: -118.675
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.013
local terms energy: -52.529662
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -175.494713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.494713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.494713 (E_RNA)
where:
Base-Base interactions energy: -106.310
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.306
local terms energy: -68.878962
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -78.512674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.512674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.512674 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.077
local terms energy: -44.062154
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: 0.694
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: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -151.937890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.937890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.937890 (E_RNA)
where:
Base-Base interactions energy: -98.668
where: short stacking energy: -41.275
Base-Backbone interact. energy: -0.616
local terms energy: -52.653698
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -234.492506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.492506 (E_RNA)
where:
Base-Base interactions energy: -160.201
where: short stacking energy: -73.779
Base-Backbone interact. energy: -0.965
local terms energy: -73.325998
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -210.101640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.101640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.101640 (E_RNA)
where:
Base-Base interactions energy: -140.981
where: short stacking energy: -73.965
Base-Backbone interact. energy: -0.090
local terms energy: -69.029940
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -191.728920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728920 (E_RNA)
where:
Base-Base interactions energy: -120.206
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.017
local terms energy: -71.506124
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -13.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -177.934549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934549 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.158
local terms energy: -65.591286
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -176.108478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.108478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.108478 (E_RNA)
where:
Base-Base interactions energy: -110.477
where: short stacking energy: -47.314
Base-Backbone interact. energy: -0.105
local terms energy: -65.526599
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -10.711
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: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -176.440942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.440942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.440942 (E_RNA)
where:
Base-Base interactions energy: -113.127
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.035
local terms energy: -63.279692
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -176.769429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769429 (E_RNA)
where:
Base-Base interactions energy: -113.387
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.083
local terms energy: -63.299913
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -14.009
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: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -169.819852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.819852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.819852 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -46.241
Base-Backbone interact. energy: 0.708
local terms energy: -61.027313
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -81.445344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.445344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.445344 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -39.051
Base-Backbone interact. energy: -0.087
local terms energy: -42.307897
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -5.798
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: 0.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -160.584315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.584315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.584315 (E_RNA)
where:
Base-Base interactions energy: -114.143
where: short stacking energy: -42.850
Base-Backbone interact. energy: -0.471
local terms energy: -45.970066
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -5.153
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: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -234.372773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.372773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.372773 (E_RNA)
where:
Base-Base interactions energy: -165.277
where: short stacking energy: -73.867
Base-Backbone interact. energy: -0.751
local terms energy: -68.344344
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -203.566908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.566908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.566908 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -61.797
Base-Backbone interact. energy: -0.152
local terms energy: -69.038620
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -12.136
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -187.719851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.719851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.719851 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -55.388
Base-Backbone interact. energy: -0.128
local terms energy: -62.232253
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -7.698
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: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -198.539635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.539635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.539635 (E_RNA)
where:
Base-Base interactions energy: -124.722
where: short stacking energy: -74.884
Base-Backbone interact. energy: -0.100
local terms energy: -73.717541
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -20.658
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: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -178.564430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.564430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.564430 (E_RNA)
where:
Base-Base interactions energy: -110.785
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.025
local terms energy: -67.754261
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -13.556
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: 6
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -186.149416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.149416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.149416 (E_RNA)
where:
Base-Base interactions energy: -117.547
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.046
local terms energy: -68.555579
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -12.708
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: 208
Temperature: 1.200000
Total energy: -171.988698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.988698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.988698 (E_RNA)
where:
Base-Base interactions energy: -110.557
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.064
local terms energy: -61.367321
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -10.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -174.159410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.159410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.159410 (E_RNA)
where:
Base-Base interactions energy: -117.480
where: short stacking energy: -57.966
Base-Backbone interact. energy: 2.565
local terms energy: -59.244051
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -171.896746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.896746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.896746 (E_RNA)
where:
Base-Base interactions energy: -106.139
where: short stacking energy: -50.649
Base-Backbone interact. energy: -0.058
local terms energy: -65.699884
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -93.178970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.178970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.178970 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -41.948
Base-Backbone interact. energy: -0.055
local terms energy: -49.365331
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -238.262562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.262562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.262562 (E_RNA)
where:
Base-Base interactions energy: -161.382
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.525
local terms energy: -76.355754
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -203.817330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.817330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.817330 (E_RNA)
where:
Base-Base interactions energy: -138.585
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.025
local terms energy: -65.207983
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -195.858144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.858144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858144 (E_RNA)
where:
Base-Base interactions energy: -122.854
where: short stacking energy: -64.145
Base-Backbone interact. energy: 0.017
local terms energy: -73.021666
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -194.373343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.373343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.373343 (E_RNA)
where:
Base-Base interactions energy: -133.013
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.172
local terms energy: -61.188324
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -11.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -199.208276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.208276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.208276 (E_RNA)
where:
Base-Base interactions energy: -138.283
where: short stacking energy: -68.414
Base-Backbone interact. energy: 0.448
local terms energy: -61.373341
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -179.326653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.326653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.326653 (E_RNA)
where:
Base-Base interactions energy: -111.687
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.807
local terms energy: -66.832583
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -182.039048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.039048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.039048 (E_RNA)
where:
Base-Base interactions energy: -113.759
where: short stacking energy: -55.212
Base-Backbone interact. energy: -1.192
local terms energy: -67.087604
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -179.448247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.448247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.448247 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -49.177
Base-Backbone interact. energy: -0.190
local terms energy: -65.550117
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -14.852
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: 209
Temperature: 1.300000
Total energy: -166.436209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.436209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.436209 (E_RNA)
where:
Base-Base interactions energy: -104.714
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.230
local terms energy: -61.492396
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -82.028420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.028420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.028420 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.955
local terms energy: -45.955015
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -3.348
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -247.255872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.255872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.255872 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -72.573
Base-Backbone interact. energy: -0.477
local terms energy: -80.516318
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -13.359
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: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -203.304056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304056 (E_RNA)
where:
Base-Base interactions energy: -136.173
where: short stacking energy: -58.300
Base-Backbone interact. energy: -0.198
local terms energy: -66.933197
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -207.595981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.595981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.595981 (E_RNA)
where:
Base-Base interactions energy: -135.304
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.525
local terms energy: -71.767135
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -194.597086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.597086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.597086 (E_RNA)
where:
Base-Base interactions energy: -122.192
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.192
local terms energy: -72.212998
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -182.440746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.440746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.440746 (E_RNA)
where:
Base-Base interactions energy: -118.043
where: short stacking energy: -56.576
Base-Backbone interact. energy: 0.558
local terms energy: -64.954976
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -186.166713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166713 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.059
local terms energy: -61.969968
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -174.679273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.679273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.679273 (E_RNA)
where:
Base-Base interactions energy: -112.416
where: short stacking energy: -51.803
Base-Backbone interact. energy: -0.038
local terms energy: -62.225450
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -9.316
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: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -178.418563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.418563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.418563 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -54.199
Base-Backbone interact. energy: -0.011
local terms energy: -63.574921
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -167.987903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.987903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.987903 (E_RNA)
where:
Base-Base interactions energy: -112.692
where: short stacking energy: -57.053
Base-Backbone interact. energy: -0.161
local terms energy: -55.134647
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -93.427935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.427935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.427935 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -36.594
Base-Backbone interact. energy: 1.345
local terms energy: -52.943194
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -232.602091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.602091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.602091 (E_RNA)
where:
Base-Base interactions energy: -166.199
where: short stacking energy: -71.909
Base-Backbone interact. energy: -0.174
local terms energy: -66.228719
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -200.706348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.706348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.706348 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -65.691
Base-Backbone interact. energy: 0.218
local terms energy: -71.221639
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.799
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: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -184.723422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.723422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.723422 (E_RNA)
where:
Base-Base interactions energy: -116.071
where: short stacking energy: -48.571
Base-Backbone interact. energy: -0.290
local terms energy: -68.362101
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -195.820672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.820672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.820672 (E_RNA)
where:
Base-Base interactions energy: -128.049
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.721
local terms energy: -67.050700
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -12.370
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: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -185.317536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.317536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.317536 (E_RNA)
where:
Base-Base interactions energy: -127.748
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.348
local terms energy: -57.222238
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -186.383566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.383566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.383566 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.148
local terms energy: -63.096248
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -14.318
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: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -186.280572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.280572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.280572 (E_RNA)
where:
Base-Base interactions energy: -123.243
where: short stacking energy: -59.961
Base-Backbone interact. energy: 0.153
local terms energy: -63.190816
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -181.576695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.576695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.576695 (E_RNA)
where:
Base-Base interactions energy: -109.908
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.003
local terms energy: -71.665251
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -170.357646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.357646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.357646 (E_RNA)
where:
Base-Base interactions energy: -105.276
where: short stacking energy: -55.891
Base-Backbone interact. energy: -0.209
local terms energy: -64.872602
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -79.032579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.032579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.032579 (E_RNA)
where:
Base-Base interactions energy: -23.244
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.341
local terms energy: -55.448334
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -215.043702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.043702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.043702 (E_RNA)
where:
Base-Base interactions energy: -139.688
where: short stacking energy: -63.492
Base-Backbone interact. energy: -0.107
local terms energy: -75.248820
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -235.638434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.638434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.638434 (E_RNA)
where:
Base-Base interactions energy: -165.042
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.688
local terms energy: -69.908791
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -16.591
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -187.892297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.892297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.892297 (E_RNA)
where:
Base-Base interactions energy: -127.800
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.009
local terms energy: -60.082692
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -11.575
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: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -181.748880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.748880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.748880 (E_RNA)
where:
Base-Base interactions energy: -114.501
where: short stacking energy: -63.823
Base-Backbone interact. energy: -0.159
local terms energy: -67.088497
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -179.220789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220789 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -54.889
Base-Backbone interact. energy: 0.949
local terms energy: -66.564757
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -175.774241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.774241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.774241 (E_RNA)
where:
Base-Base interactions energy: -112.445
where: short stacking energy: -50.269
Base-Backbone interact. energy: -1.128
local terms energy: -62.201590
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -11.315
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -166.757207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.757207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.757207 (E_RNA)
where:
Base-Base interactions energy: -104.981
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.118
local terms energy: -61.657579
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -161.215616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.215616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.215616 (E_RNA)
where:
Base-Base interactions energy: -105.031
where: short stacking energy: -43.316
Base-Backbone interact. energy: -0.083
local terms energy: -56.101584
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -7.992
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: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -169.972039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.972039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.972039 (E_RNA)
where:
Base-Base interactions energy: -108.226
where: short stacking energy: -50.766
Base-Backbone interact. energy: -0.097
local terms energy: -61.649248
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -9.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -87.287012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.287012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.287012 (E_RNA)
where:
Base-Base interactions energy: -33.308
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.666
local terms energy: -53.312746
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -220.513160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.513160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.513160 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -82.425
Base-Backbone interact. energy: -0.103
local terms energy: -75.033287
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.663
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: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -238.122501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.122501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.122501 (E_RNA)
where:
Base-Base interactions energy: -170.283
where: short stacking energy: -77.820
Base-Backbone interact. energy: -0.332
local terms energy: -67.507462
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.440
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: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -207.414016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.414016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.414016 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.537
local terms energy: -79.795123
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -185.935934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935934 (E_RNA)
where:
Base-Base interactions energy: -120.563
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.304
local terms energy: -65.068413
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -13.303
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: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -202.905368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905368 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -51.698
Base-Backbone interact. energy: -0.421
local terms energy: -73.291629
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -183.870796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.870796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.870796 (E_RNA)
where:
Base-Base interactions energy: -122.231
where: short stacking energy: -54.518
Base-Backbone interact. energy: 0.859
local terms energy: -62.498342
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.387
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: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -172.712519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.712519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.712519 (E_RNA)
where:
Base-Base interactions energy: -114.117
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.016
local terms energy: -58.579702
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -170.809560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.809560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.809560 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -52.166
Base-Backbone interact. energy: -0.168
local terms energy: -63.825556
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -152.593904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.593904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.593904 (E_RNA)
where:
Base-Base interactions energy: -100.830
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.013
local terms energy: -51.751652
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -2.778
tors. eta vs tors. theta energy: -8.728
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -83.025509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025509 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -31.846
Base-Backbone interact. energy: -0.121
local terms energy: -51.057666
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -6.452
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: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -246.396066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.396066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.396066 (E_RNA)
where:
Base-Base interactions energy: -166.157
where: short stacking energy: -81.418
Base-Backbone interact. energy: -0.583
local terms energy: -79.656090
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -216.948890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.948890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.948890 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.106
local terms energy: -73.894784
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -188.695209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695209 (E_RNA)
where:
Base-Base interactions energy: -123.245
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.261
local terms energy: -65.189041
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -198.282577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.282577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.282577 (E_RNA)
where:
Base-Base interactions energy: -118.294
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.013
local terms energy: -79.975891
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -16.717
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: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -183.859830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.859830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.859830 (E_RNA)
where:
Base-Base interactions energy: -116.729
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.280
local terms energy: -66.850823
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -12.465
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: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -176.405669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.405669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.405669 (E_RNA)
where:
Base-Base interactions energy: -114.823
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.007
local terms energy: -61.575888
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -9.499
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: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -171.824860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.824860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.824860 (E_RNA)
where:
Base-Base interactions energy: -111.359
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.329
local terms energy: -60.136309
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -176.507193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507193 (E_RNA)
where:
Base-Base interactions energy: -115.382
where: short stacking energy: -50.416
Base-Backbone interact. energy: -0.529
local terms energy: -60.596732
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -8.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -155.014204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.014204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.014204 (E_RNA)
where:
Base-Base interactions energy: -96.527
where: short stacking energy: -43.375
Base-Backbone interact. energy: -0.263
local terms energy: -58.224219
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -76.312683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.312683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.312683 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -30.560
Base-Backbone interact. energy: -0.271
local terms energy: -41.339560
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -238.084284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.084284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.084284 (E_RNA)
where:
Base-Base interactions energy: -166.387
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.496
local terms energy: -71.201567
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -15.897
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -193.747956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.747956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.747956 (E_RNA)
where:
Base-Base interactions energy: -115.738
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.160
local terms energy: -77.850098
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -17.135
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: 215
Temperature: 1.000000
Total energy: -199.953864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953864 (E_RNA)
where:
Base-Base interactions energy: -125.105
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.101
local terms energy: -74.748146
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -188.072850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.072850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.072850 (E_RNA)
where:
Base-Base interactions energy: -118.548
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.111
local terms energy: -69.414183
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -178.995868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.995868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.995868 (E_RNA)
where:
Base-Base interactions energy: -116.202
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.627
local terms energy: -62.167065
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -9.616
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: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -186.938441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.938441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.938441 (E_RNA)
where:
Base-Base interactions energy: -121.001
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.168
local terms energy: -65.769287
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -190.831700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.831700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.831700 (E_RNA)
where:
Base-Base interactions energy: -132.563
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.000
local terms energy: -58.268213
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -6.011
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -169.791459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.791459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.791459 (E_RNA)
where:
Base-Base interactions energy: -112.464
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.633
local terms energy: -56.695011
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -160.663394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.663394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.663394 (E_RNA)
where:
Base-Base interactions energy: -106.830
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.609
local terms energy: -53.224488
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -90.760288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.760288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.760288 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -35.141
Base-Backbone interact. energy: -0.095
local terms energy: -48.186441
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -7.111
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: 216
Temperature: 0.900000
Total energy: -212.913062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.913062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.913062 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.005
local terms energy: -85.166773
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -238.790552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.790552 (E_RNA)
where:
Base-Base interactions energy: -165.937
where: short stacking energy: -61.412
Base-Backbone interact. energy: -0.329
local terms energy: -72.524255
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -184.900692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.900692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.900692 (E_RNA)
where:
Base-Base interactions energy: -119.990
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.117
local terms energy: -64.793516
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -193.439149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.439149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.439149 (E_RNA)
where:
Base-Base interactions energy: -127.556
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.064
local terms energy: -65.818912
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -192.742965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.742965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.742965 (E_RNA)
where:
Base-Base interactions energy: -119.658
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.036
local terms energy: -73.048829
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -16.227
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: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -168.813056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.813056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.813056 (E_RNA)
where:
Base-Base interactions energy: -104.785
where: short stacking energy: -49.857
Base-Backbone interact. energy: -0.641
local terms energy: -63.387039
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -174.243925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.243925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.243925 (E_RNA)
where:
Base-Base interactions energy: -112.466
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.197
local terms energy: -61.580747
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -167.935616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.935616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.935616 (E_RNA)
where:
Base-Base interactions energy: -113.368
where: short stacking energy: -54.390
Base-Backbone interact. energy: -0.007
local terms energy: -54.560219
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -8.789
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: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -173.689833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.689833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.689833 (E_RNA)
where:
Base-Base interactions energy: -107.464
where: short stacking energy: -55.756
Base-Backbone interact. energy: 0.153
local terms energy: -66.379182
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -11.987
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -80.673840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.673840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.673840 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.949
local terms energy: -47.210080
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -4.550
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: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -218.381105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.381105 (E_RNA)
where:
Base-Base interactions energy: -141.970
where: short stacking energy: -65.599
Base-Backbone interact. energy: 0.093
local terms energy: -76.503949
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -231.782002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.782002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.782002 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -74.220
Base-Backbone interact. energy: 0.446
local terms energy: -76.386752
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.115
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: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -188.878367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.878367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.878367 (E_RNA)
where:
Base-Base interactions energy: -115.588
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.361
local terms energy: -72.929341
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -9.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -182.886308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.886308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.886308 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -60.246
Base-Backbone interact. energy: 0.291
local terms energy: -65.181516
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -180.588115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.588115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.588115 (E_RNA)
where:
Base-Base interactions energy: -112.578
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.037
local terms energy: -67.973036
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -182.501684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.501684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.501684 (E_RNA)
where:
Base-Base interactions energy: -119.431
where: short stacking energy: -60.607
Base-Backbone interact. energy: -0.021
local terms energy: -63.049873
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -18.464
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: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -169.541538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.541538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.541538 (E_RNA)
where:
Base-Base interactions energy: -106.022
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.182
local terms energy: -63.337155
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -12.198
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: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -182.462936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.462936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.462936 (E_RNA)
where:
Base-Base interactions energy: -118.325
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.008
local terms energy: -64.130148
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -4.720
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -157.214598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.214598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.214598 (E_RNA)
where:
Base-Base interactions energy: -103.089
where: short stacking energy: -52.783
Base-Backbone interact. energy: -0.022
local terms energy: -54.103374
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -7.517
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -91.682380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682380 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -34.836
Base-Backbone interact. energy: -0.044
local terms energy: -56.803085
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -241.666969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.666969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.666969 (E_RNA)
where:
Base-Base interactions energy: -169.020
where: short stacking energy: -78.212
Base-Backbone interact. energy: -0.284
local terms energy: -72.362596
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -213.997344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.997344 (E_RNA)
where:
Base-Base interactions energy: -137.564
where: short stacking energy: -69.381
Base-Backbone interact. energy: -0.002
local terms energy: -76.431570
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -201.666615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.666615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.666615 (E_RNA)
where:
Base-Base interactions energy: -133.863
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.001
local terms energy: -67.802647
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -184.805162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.805162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.805162 (E_RNA)
where:
Base-Base interactions energy: -111.269
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.901
local terms energy: -72.634908
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -192.748818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.748818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.748818 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.038
local terms energy: -67.720677
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -196.699653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.699653 (E_RNA)
where:
Base-Base interactions energy: -134.571
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.032
local terms energy: -62.096438
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -14.577
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: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -187.901052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.901052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.901052 (E_RNA)
where:
Base-Base interactions energy: -117.788
where: short stacking energy: -43.687
Base-Backbone interact. energy: -0.146
local terms energy: -69.967048
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -169.842505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.842505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.842505 (E_RNA)
where:
Base-Base interactions energy: -110.418
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.195
local terms energy: -59.230034
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -156.899311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.899311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.899311 (E_RNA)
where:
Base-Base interactions energy: -96.733
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.131
local terms energy: -60.035621
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -10.030
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: 218
Temperature: 1.350000
Total energy: -84.220414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220414 (E_RNA)
where:
Base-Base interactions energy: -27.793
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.067
local terms energy: -56.359845
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -239.023971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.023971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.023971 (E_RNA)
where:
Base-Base interactions energy: -168.028
where: short stacking energy: -82.821
Base-Backbone interact. energy: -0.213
local terms energy: -70.782965
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -17.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -204.249277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.249277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.249277 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -72.486
Base-Backbone interact. energy: -0.001
local terms energy: -65.196286
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -9.334
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: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -201.403457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.403457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.403457 (E_RNA)
where:
Base-Base interactions energy: -135.523
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.024
local terms energy: -65.856557
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -183.581859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.581859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.581859 (E_RNA)
where:
Base-Base interactions energy: -115.411
where: short stacking energy: -63.586
Base-Backbone interact. energy: -0.000
local terms energy: -68.170625
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -13.730
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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -185.194873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.194873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.194873 (E_RNA)
where:
Base-Base interactions energy: -116.700
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.123
local terms energy: -68.371797
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -192.815994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.815994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.815994 (E_RNA)
where:
Base-Base interactions energy: -124.003
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.056
local terms energy: -68.757360
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -180.155970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.155970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.155970 (E_RNA)
where:
Base-Base interactions energy: -113.924
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.209
local terms energy: -66.022654
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -157.493961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.493961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.493961 (E_RNA)
where:
Base-Base interactions energy: -96.719
where: short stacking energy: -50.193
Base-Backbone interact. energy: -0.259
local terms energy: -60.515128
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -153.149225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.149225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.149225 (E_RNA)
where:
Base-Base interactions energy: -90.342
where: short stacking energy: -45.080
Base-Backbone interact. energy: -0.813
local terms energy: -61.994365
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.296165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.296165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.296165 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.106
local terms energy: -43.755923
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -237.541246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.541246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.541246 (E_RNA)
where:
Base-Base interactions energy: -164.241
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.281
local terms energy: -73.019266
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -200.077307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.077307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.077307 (E_RNA)
where:
Base-Base interactions energy: -134.526
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.032
local terms energy: -65.519798
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -199.544733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.544733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.544733 (E_RNA)
where:
Base-Base interactions energy: -126.739
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.002
local terms energy: -72.804243
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -184.747610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.747610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.747610 (E_RNA)
where:
Base-Base interactions energy: -120.852
where: short stacking energy: -56.848
Base-Backbone interact. energy: 0.962
local terms energy: -64.857770
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -190.577670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.577670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.577670 (E_RNA)
where:
Base-Base interactions energy: -134.770
where: short stacking energy: -54.040
Base-Backbone interact. energy: 0.816
local terms energy: -56.624140
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -175.512188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.512188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.512188 (E_RNA)
where:
Base-Base interactions energy: -119.070
where: short stacking energy: -61.203
Base-Backbone interact. energy: 0.802
local terms energy: -57.243832
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -6.799
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: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -172.663493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.663493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.663493 (E_RNA)
where:
Base-Base interactions energy: -108.761
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.326
local terms energy: -63.577153
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -9.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -178.503464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.503464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.503464 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -57.067
Base-Backbone interact. energy: -0.008
local terms energy: -62.178584
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -17.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -87.449968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449968 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -35.776
Base-Backbone interact. energy: -0.110
local terms energy: -51.563714
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -169.553664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.553664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553664 (E_RNA)
where:
Base-Base interactions energy: -105.981
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.002
local terms energy: -63.570724
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -3.899
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: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -237.215716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.215716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.215716 (E_RNA)
where:
Base-Base interactions energy: -166.412
where: short stacking energy: -68.727
Base-Backbone interact. energy: -0.148
local terms energy: -70.656119
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -17.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -195.524405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.524405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.524405 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.055
local terms energy: -73.168176
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -189.929914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.929914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.929914 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.129
local terms energy: -60.392882
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -13.020
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: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -188.861058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.861058 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -69.302
Base-Backbone interact. energy: -0.596
local terms energy: -64.068446
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.960
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: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -177.300135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.300135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.300135 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.089
local terms energy: -57.823546
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -9.817
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -10.366
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -177.017317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.017317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.017317 (E_RNA)
where:
Base-Base interactions energy: -113.874
where: short stacking energy: -53.174
Base-Backbone interact. energy: -0.974
local terms energy: -62.169156
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.210
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -170.636852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.636852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.636852 (E_RNA)
where:
Base-Base interactions energy: -115.010
where: short stacking energy: -59.790
Base-Backbone interact. energy: 0.271
local terms energy: -55.897893
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -0.914
tors. eta vs tors. theta energy: -12.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -166.118011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.118011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.118011 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -51.006
Base-Backbone interact. energy: 0.269
local terms energy: -64.608103
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.763249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.763249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.763249 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -22.194
Base-Backbone interact. energy: -0.427
local terms energy: -50.352407
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -10.463
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: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -165.711905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.711905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.711905 (E_RNA)
where:
Base-Base interactions energy: -102.438
where: short stacking energy: -48.630
Base-Backbone interact. energy: -0.088
local terms energy: -63.185862
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -11.688
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: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -229.823690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.823690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.823690 (E_RNA)
where:
Base-Base interactions energy: -152.273
where: short stacking energy: -67.325
Base-Backbone interact. energy: -0.871
local terms energy: -76.679868
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -200.086162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086162 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.004
local terms energy: -70.447449
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -194.138351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.138351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.138351 (E_RNA)
where:
Base-Base interactions energy: -127.460
where: short stacking energy: -49.661
Base-Backbone interact. energy: -0.973
local terms energy: -65.705314
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -197.670956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.670956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.670956 (E_RNA)
where:
Base-Base interactions energy: -130.752
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.077
local terms energy: -66.842519
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -178.585601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.585601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.585601 (E_RNA)
where:
Base-Base interactions energy: -111.371
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.094
local terms energy: -67.120542
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -7.515
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: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -179.341057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.341057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.341057 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.057
local terms energy: -66.052783
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -13.188
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: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -183.780420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.780420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.780420 (E_RNA)
where:
Base-Base interactions energy: -121.753
where: short stacking energy: -55.653
Base-Backbone interact. energy: -0.012
local terms energy: -62.014673
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -172.822606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.822606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.822606 (E_RNA)
where:
Base-Base interactions energy: -108.817
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.091
local terms energy: -63.914750
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -9.897
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: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -150.965427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.965427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.965427 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -45.557
Base-Backbone interact. energy: -0.166
local terms energy: -47.139615
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.739
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: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -79.448305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.448305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.448305 (E_RNA)
where:
Base-Base interactions energy: -31.224
where: short stacking energy: -28.411
Base-Backbone interact. energy: 1.607
local terms energy: -49.831372
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: 4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -228.353568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.353568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.353568 (E_RNA)
where:
Base-Base interactions energy: -150.698
where: short stacking energy: -67.643
Base-Backbone interact. energy: -0.681
local terms energy: -76.975021
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -20.281
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -195.312886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.312886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312886 (E_RNA)
where:
Base-Base interactions energy: -126.076
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.019
local terms energy: -69.217128
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -9.596
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: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -200.287922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.287922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.287922 (E_RNA)
where:
Base-Base interactions energy: -134.937
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.156
local terms energy: -65.194889
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -193.380085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.380085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380085 (E_RNA)
where:
Base-Base interactions energy: -126.242
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.044
local terms energy: -67.094238
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -187.032308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032308 (E_RNA)
where:
Base-Base interactions energy: -114.081
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.005
local terms energy: -72.945666
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -191.225208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.225208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.225208 (E_RNA)
where:
Base-Base interactions energy: -129.362
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.179
local terms energy: -61.683966
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -169.833416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.833416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.833416 (E_RNA)
where:
Base-Base interactions energy: -100.616
where: short stacking energy: -51.983
Base-Backbone interact. energy: -0.037
local terms energy: -69.180330
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -11.258
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -157.213905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.213905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.213905 (E_RNA)
where:
Base-Base interactions energy: -97.502
where: short stacking energy: -37.282
Base-Backbone interact. energy: -0.138
local terms energy: -59.574046
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -162.039031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.039031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.039031 (E_RNA)
where:
Base-Base interactions energy: -104.990
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.313
local terms energy: -56.736112
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -88.569637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.569637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.569637 (E_RNA)
where:
Base-Base interactions energy: -45.744
where: short stacking energy: -40.376
Base-Backbone interact. energy: 0.769
local terms energy: -43.594291
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -1.716
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: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -241.919684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.919684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.919684 (E_RNA)
where:
Base-Base interactions energy: -170.296
where: short stacking energy: -77.246
Base-Backbone interact. energy: 0.140
local terms energy: -71.763749
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -193.968409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.968409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.968409 (E_RNA)
where:
Base-Base interactions energy: -122.644
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.086
local terms energy: -71.239177
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -196.909127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.909127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.909127 (E_RNA)
where:
Base-Base interactions energy: -127.894
where: short stacking energy: -74.530
Base-Backbone interact. energy: -0.023
local terms energy: -68.991682
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -187.000133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.000133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.000133 (E_RNA)
where:
Base-Base interactions energy: -117.807
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.004
local terms energy: -69.189677
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -182.720240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.720240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.720240 (E_RNA)
where:
Base-Base interactions energy: -115.268
where: short stacking energy: -57.153
Base-Backbone interact. energy: -0.098
local terms energy: -67.354195
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -169.423503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.423503 (E_RNA)
where:
Base-Base interactions energy: -103.455
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.047
local terms energy: -65.921651
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -10.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -174.270911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.270911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.270911 (E_RNA)
where:
Base-Base interactions energy: -107.370
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.079
local terms energy: -66.821746
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -11.779
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: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -181.091148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.091148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.091148 (E_RNA)
where:
Base-Base interactions energy: -124.175
where: short stacking energy: -52.594
Base-Backbone interact. energy: -0.263
local terms energy: -56.653342
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -4.479
tors. eta vs tors. theta energy: -9.808
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: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -157.871815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.871815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.871815 (E_RNA)
where:
Base-Base interactions energy: -101.821
where: short stacking energy: -44.459
Base-Backbone interact. energy: -0.295
local terms energy: -55.755950
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -74.639006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.639006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.639006 (E_RNA)
where:
Base-Base interactions energy: -30.270
where: short stacking energy: -29.732
Base-Backbone interact. energy: -1.163
local terms energy: -43.205574
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -237.093084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.093084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.093084 (E_RNA)
where:
Base-Base interactions energy: -165.213
where: short stacking energy: -73.624
Base-Backbone interact. energy: 0.370
local terms energy: -72.249926
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -12.392
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: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -204.419248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.419248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.419248 (E_RNA)
where:
Base-Base interactions energy: -122.842
where: short stacking energy: -70.316
Base-Backbone interact. energy: -0.016
local terms energy: -81.560926
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -20.658
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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -208.828649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.828649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.828649 (E_RNA)
where:
Base-Base interactions energy: -146.401
where: short stacking energy: -67.373
Base-Backbone interact. energy: 0.033
local terms energy: -62.461233
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -193.123643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.123643 (E_RNA)
where:
Base-Base interactions energy: -124.987
where: short stacking energy: -59.329
Base-Backbone interact. energy: -1.639
local terms energy: -66.498132
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -13.055
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: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -171.356306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.356306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.356306 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.392
local terms energy: -63.102386
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -183.790148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790148 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.238
local terms energy: -66.512434
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -16.172
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: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -170.359646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.359646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.359646 (E_RNA)
where:
Base-Base interactions energy: -102.866
where: short stacking energy: -47.683
Base-Backbone interact. energy: -0.010
local terms energy: -67.483557
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -163.602997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.602997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.602997 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -49.095
Base-Backbone interact. energy: 0.593
local terms energy: -63.969038
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -162.606643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.606643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.606643 (E_RNA)
where:
Base-Base interactions energy: -101.504
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.105
local terms energy: -60.998369
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -74.816116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.816116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.816116 (E_RNA)
where:
Base-Base interactions energy: -31.123
where: short stacking energy: -31.123
Base-Backbone interact. energy: -0.079
local terms energy: -43.614550
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -0.684
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: 226
Temperature: 0.900000
Total energy: -240.692426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.692426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.692426 (E_RNA)
where:
Base-Base interactions energy: -160.465
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.927
local terms energy: -79.300369
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -205.630518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.630518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.630518 (E_RNA)
where:
Base-Base interactions energy: -131.773
where: short stacking energy: -77.448
Base-Backbone interact. energy: -0.007
local terms energy: -73.851188
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.929
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -193.215744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.215744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.215744 (E_RNA)
where:
Base-Base interactions energy: -121.485
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.005
local terms energy: -71.725761
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -186.594331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.594331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.594331 (E_RNA)
where:
Base-Base interactions energy: -127.129
where: short stacking energy: -52.738
Base-Backbone interact. energy: -0.551
local terms energy: -58.914044
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -8.880
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: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -179.334097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.334097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.334097 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -55.107
Base-Backbone interact. energy: 1.912
local terms energy: -63.486154
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -186.274066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.274066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.274066 (E_RNA)
where:
Base-Base interactions energy: -126.074
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.011
local terms energy: -60.188880
where:
bonds (distance) C4'-P energy: -4.018
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -177.637323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.637323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.637323 (E_RNA)
where:
Base-Base interactions energy: -105.973
where: short stacking energy: -56.213
Base-Backbone interact. energy: 0.223
local terms energy: -71.887133
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -157.351518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.351518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.351518 (E_RNA)
where:
Base-Base interactions energy: -100.331
where: short stacking energy: -51.074
Base-Backbone interact. energy: -0.797
local terms energy: -56.223764
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -6.779
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: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -169.451999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.451999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.451999 (E_RNA)
where:
Base-Base interactions energy: -109.654
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.057
local terms energy: -59.741302
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -77.362015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.362015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.362015 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -27.777
Base-Backbone interact. energy: -0.472
local terms energy: -47.861527
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -0.632
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -235.244139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.244139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.244139 (E_RNA)
where:
Base-Base interactions energy: -161.974
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.015
local terms energy: -73.255184
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -222.566436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.566436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.566436 (E_RNA)
where:
Base-Base interactions energy: -154.935
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.013
local terms energy: -67.618238
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -201.431729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.431729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.431729 (E_RNA)
where:
Base-Base interactions energy: -126.084
where: short stacking energy: -67.532
Base-Backbone interact. energy: -0.044
local terms energy: -75.303966
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -17.381
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: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -192.188047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.188047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.188047 (E_RNA)
where:
Base-Base interactions energy: -126.622
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.483
local terms energy: -65.083878
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -184.526911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526911 (E_RNA)
where:
Base-Base interactions energy: -114.782
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.018
local terms energy: -69.727808
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -187.047563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.047563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.047563 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.001
local terms energy: -63.733718
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -182.018003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.018003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.018003 (E_RNA)
where:
Base-Base interactions energy: -117.649
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.208
local terms energy: -64.160781
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.113
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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -185.286791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.286791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.286791 (E_RNA)
where:
Base-Base interactions energy: -117.748
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.449
local terms energy: -67.090410
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -11.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -161.981081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.981081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.981081 (E_RNA)
where:
Base-Base interactions energy: -107.600
where: short stacking energy: -50.136
Base-Backbone interact. energy: -0.055
local terms energy: -54.326457
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -86.039682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.039682 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.333
local terms energy: -56.722894
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -247.054373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.054373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.054373 (E_RNA)
where:
Base-Base interactions energy: -174.071
where: short stacking energy: -65.415
Base-Backbone interact. energy: -0.846
local terms energy: -72.137354
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -217.438649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.438649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.438649 (E_RNA)
where:
Base-Base interactions energy: -153.735
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.671
local terms energy: -63.031964
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -10.380
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: 3, replica: 3
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -205.138373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.138373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.138373 (E_RNA)
where:
Base-Base interactions energy: -135.866
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.001
local terms energy: -69.271836
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -11.407
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -182.672399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.672399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.672399 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -53.172
Base-Backbone interact. energy: 2.511
local terms energy: -62.882607
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -194.131001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.131001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.131001 (E_RNA)
where:
Base-Base interactions energy: -124.886
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.225
local terms energy: -69.019505
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -183.891529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.891529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.891529 (E_RNA)
where:
Base-Base interactions energy: -109.759
where: short stacking energy: -52.964
Base-Backbone interact. energy: 0.055
local terms energy: -74.188120
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -15.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -178.105856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.105856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.105856 (E_RNA)
where:
Base-Base interactions energy: -112.621
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.656
local terms energy: -64.829080
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -9.514
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: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -169.101082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.101082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.101082 (E_RNA)
where:
Base-Base interactions energy: -111.451
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.199
local terms energy: -57.450719
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -165.279294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.279294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.279294 (E_RNA)
where:
Base-Base interactions energy: -107.826
where: short stacking energy: -52.695
Base-Backbone interact. energy: -0.099
local terms energy: -57.354364
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.207
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: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -103.667573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.667573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.667573 (E_RNA)
where:
Base-Base interactions energy: -54.719
where: short stacking energy: -48.899
Base-Backbone interact. energy: -0.278
local terms energy: -48.670499
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -11.327
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: 229
Temperature: 0.900000
Total energy: -240.106391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.106391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.106391 (E_RNA)
where:
Base-Base interactions energy: -161.673
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.236
local terms energy: -78.197559
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -211.220471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.220471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.220471 (E_RNA)
where:
Base-Base interactions energy: -137.075
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.017
local terms energy: -74.127839
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -209.351739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.351739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.351739 (E_RNA)
where:
Base-Base interactions energy: -134.875
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.669
local terms energy: -73.807462
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -193.608302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.608302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608302 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -55.378
Base-Backbone interact. energy: -0.518
local terms energy: -69.994124
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -185.794247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.794247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794247 (E_RNA)
where:
Base-Base interactions energy: -121.762
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.802
local terms energy: -63.230076
where:
bonds (distance) C4'-P energy: -9.778
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -13.500
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: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -176.637832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637832 (E_RNA)
where:
Base-Base interactions energy: -113.100
where: short stacking energy: -53.755
Base-Backbone interact. energy: 0.565
local terms energy: -64.101917
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -13.957
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: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -167.717099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.717099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.717099 (E_RNA)
where:
Base-Base interactions energy: -102.856
where: short stacking energy: -46.336
Base-Backbone interact. energy: -0.027
local terms energy: -64.834285
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -12.515
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: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -171.177933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.177933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.177933 (E_RNA)
where:
Base-Base interactions energy: -112.015
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.069
local terms energy: -59.094260
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -159.682135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.682135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.682135 (E_RNA)
where:
Base-Base interactions energy: -93.684
where: short stacking energy: -43.934
Base-Backbone interact. energy: -0.031
local terms energy: -65.966901
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -79.606949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606949 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.204
local terms energy: -47.285535
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -229.473353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.473353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.473353 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.059
local terms energy: -69.908576
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -16.949
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: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -215.292536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292536 (E_RNA)
where:
Base-Base interactions energy: -152.982
where: short stacking energy: -67.231
Base-Backbone interact. energy: -0.041
local terms energy: -62.270221
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -14.611
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -218.014253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.014253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.014253 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -59.036
Base-Backbone interact. energy: -0.130
local terms energy: -71.208565
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -207.016974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.016974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.016974 (E_RNA)
where:
Base-Base interactions energy: -148.137
where: short stacking energy: -59.071
Base-Backbone interact. energy: -0.041
local terms energy: -58.838646
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.963
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: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -200.583009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.583009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.583009 (E_RNA)
where:
Base-Base interactions energy: -136.530
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.791
local terms energy: -63.261849
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -172.988022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.988022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.988022 (E_RNA)
where:
Base-Base interactions energy: -110.084
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.011
local terms energy: -62.892772
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -4.904
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -184.038813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.038813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.038813 (E_RNA)
where:
Base-Base interactions energy: -121.584
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.095
local terms energy: -62.359563
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -11.614
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: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -160.323241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.323241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.323241 (E_RNA)
where:
Base-Base interactions energy: -102.553
where: short stacking energy: -47.758
Base-Backbone interact. energy: -1.039
local terms energy: -56.730736
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -160.089670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.089670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.089670 (E_RNA)
where:
Base-Base interactions energy: -95.650
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.349
local terms energy: -64.090239
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -111.157077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.157077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.157077 (E_RNA)
where:
Base-Base interactions energy: -70.429
where: short stacking energy: -43.174
Base-Backbone interact. energy: -0.323
local terms energy: -40.404724
where:
bonds (distance) C4'-P energy: -2.970
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -240.479197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.479197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.479197 (E_RNA)
where:
Base-Base interactions energy: -169.896
where: short stacking energy: -71.997
Base-Backbone interact. energy: -0.193
local terms energy: -70.390665
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -220.087854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.087854 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -68.575
Base-Backbone interact. energy: -0.089
local terms energy: -72.855376
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -195.861151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.861151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.861151 (E_RNA)
where:
Base-Base interactions energy: -127.364
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.303
local terms energy: -68.194942
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -193.844512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.844512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.844512 (E_RNA)
where:
Base-Base interactions energy: -128.268
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.637
local terms energy: -64.939346
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.649
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: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -193.954311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.954311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.954311 (E_RNA)
where:
Base-Base interactions energy: -122.822
where: short stacking energy: -55.873
Base-Backbone interact. energy: -0.112
local terms energy: -71.020449
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -173.782340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.782340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.782340 (E_RNA)
where:
Base-Base interactions energy: -115.198
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.051
local terms energy: -58.533403
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -15.234
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: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -178.529252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.529252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.529252 (E_RNA)
where:
Base-Base interactions energy: -116.103
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.065
local terms energy: -62.362019
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -158.908327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.908327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.908327 (E_RNA)
where:
Base-Base interactions energy: -106.890
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.230
local terms energy: -51.788272
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -151.088450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.088450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.088450 (E_RNA)
where:
Base-Base interactions energy: -93.034
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.414
local terms energy: -57.640350
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -5.131
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: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -88.147145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.147145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.147145 (E_RNA)
where:
Base-Base interactions energy: -43.794
where: short stacking energy: -22.289
Base-Backbone interact. energy: -0.130
local terms energy: -44.223384
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -237.224969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.224969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.224969 (E_RNA)
where:
Base-Base interactions energy: -168.889
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.238
local terms energy: -68.098257
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -209.841071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.841071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.841071 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -70.717
Base-Backbone interact. energy: -0.020
local terms energy: -80.419010
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -21.714
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -193.671185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.671185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.671185 (E_RNA)
where:
Base-Base interactions energy: -119.259
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.001
local terms energy: -74.411820
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -192.745425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.745425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.745425 (E_RNA)
where:
Base-Base interactions energy: -127.258
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.137
local terms energy: -65.350433
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -193.713672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.713672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.713672 (E_RNA)
where:
Base-Base interactions energy: -119.249
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.004
local terms energy: -74.459988
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -19.026
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: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -174.814364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.814364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.814364 (E_RNA)
where:
Base-Base interactions energy: -107.597
where: short stacking energy: -49.060
Base-Backbone interact. energy: 1.402
local terms energy: -68.620142
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -11.287
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: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -180.217093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.217093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.217093 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.700
local terms energy: -64.700061
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -163.925490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.925490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.925490 (E_RNA)
where:
Base-Base interactions energy: -103.749
where: short stacking energy: -45.339
Base-Backbone interact. energy: -0.159
local terms energy: -60.017171
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -155.584392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.584392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.584392 (E_RNA)
where:
Base-Base interactions energy: -92.713
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.711
local terms energy: -62.159642
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -89.867762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867762 (E_RNA)
where:
Base-Base interactions energy: -44.206
where: short stacking energy: -32.664
Base-Backbone interact. energy: -0.246
local terms energy: -45.416453
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -246.322055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.322055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.322055 (E_RNA)
where:
Base-Base interactions energy: -168.954
where: short stacking energy: -77.066
Base-Backbone interact. energy: -0.097
local terms energy: -77.270338
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -200.642703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.642703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.642703 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -67.034
Base-Backbone interact. energy: -0.012
local terms energy: -75.594968
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.657
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -206.403166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.403166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.403166 (E_RNA)
where:
Base-Base interactions energy: -128.994
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.200
local terms energy: -77.208249
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -11.982
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: 4, replica: 1
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -190.343264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.343264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.343264 (E_RNA)
where:
Base-Base interactions energy: -118.978
where: short stacking energy: -54.495
Base-Backbone interact. energy: -0.120
local terms energy: -71.245109
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -202.776698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.776698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.776698 (E_RNA)
where:
Base-Base interactions energy: -129.951
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.005
local terms energy: -72.820736
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -15.095
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: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -191.158152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.158152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.158152 (E_RNA)
where:
Base-Base interactions energy: -123.514
where: short stacking energy: -59.461
Base-Backbone interact. energy: -0.396
local terms energy: -67.247243
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -15.721
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: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -190.824371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.824371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.824371 (E_RNA)
where:
Base-Base interactions energy: -133.821
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.183
local terms energy: -56.820853
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -174.076420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.076420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.076420 (E_RNA)
where:
Base-Base interactions energy: -116.467
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.122
local terms energy: -57.487411
where:
bonds (distance) C4'-P energy: -7.796
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -10.225
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: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -152.060487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.060487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.060487 (E_RNA)
where:
Base-Base interactions energy: -98.351
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.177
local terms energy: -53.532815
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -82.987261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987261 (E_RNA)
where:
Base-Base interactions energy: -28.399
where: short stacking energy: -21.549
Base-Backbone interact. energy: -0.210
local terms energy: -54.378678
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -240.805457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.805457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.805457 (E_RNA)
where:
Base-Base interactions energy: -166.818
where: short stacking energy: -74.197
Base-Backbone interact. energy: -0.266
local terms energy: -73.721545
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -203.679392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.679392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.679392 (E_RNA)
where:
Base-Base interactions energy: -130.756
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.164
local terms energy: -72.759672
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -194.010654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.010654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.010654 (E_RNA)
where:
Base-Base interactions energy: -119.200
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.219
local terms energy: -74.591815
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -14.677
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: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -193.175558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.175558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.175558 (E_RNA)
where:
Base-Base interactions energy: -127.619
where: short stacking energy: -63.743
Base-Backbone interact. energy: -0.134
local terms energy: -65.422432
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -186.607659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.607659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.607659 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.003
local terms energy: -64.435105
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -5.198
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: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -206.777010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.777010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.777010 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.014
local terms energy: -66.891404
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -12.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -161.147136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.147136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.147136 (E_RNA)
where:
Base-Base interactions energy: -104.157
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.043
local terms energy: -56.947097
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -8.391
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: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -166.904579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.904579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.904579 (E_RNA)
where:
Base-Base interactions energy: -107.784
where: short stacking energy: -60.511
Base-Backbone interact. energy: -0.007
local terms energy: -59.113343
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -165.748905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.748905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.748905 (E_RNA)
where:
Base-Base interactions energy: -108.219
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.012
local terms energy: -57.518120
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -12.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -84.711565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711565 (E_RNA)
where:
Base-Base interactions energy: -41.887
where: short stacking energy: -21.452
Base-Backbone interact. energy: 0.115
local terms energy: -42.940440
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -8.255
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: 1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -237.896442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.896442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.896442 (E_RNA)
where:
Base-Base interactions energy: -160.004
where: short stacking energy: -76.041
Base-Backbone interact. energy: -1.347
local terms energy: -76.545530
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -7.588
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: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -211.578051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.578051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.578051 (E_RNA)
where:
Base-Base interactions energy: -139.490
where: short stacking energy: -66.048
Base-Backbone interact. energy: -0.013
local terms energy: -72.075425
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -15.501
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: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -195.137144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.137144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.137144 (E_RNA)
where:
Base-Base interactions energy: -131.902
where: short stacking energy: -60.981
Base-Backbone interact. energy: -0.504
local terms energy: -62.730641
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -10.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -190.598730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.598730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.598730 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -62.058
Base-Backbone interact. energy: -0.031
local terms energy: -77.747016
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -192.432505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.432505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.432505 (E_RNA)
where:
Base-Base interactions energy: -123.332
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.039
local terms energy: -69.061454
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -206.677768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.677768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.677768 (E_RNA)
where:
Base-Base interactions energy: -147.225
where: short stacking energy: -64.093
Base-Backbone interact. energy: -0.065
local terms energy: -59.387961
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -6.514
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -172.056550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.056550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.056550 (E_RNA)
where:
Base-Base interactions energy: -106.805
where: short stacking energy: -49.211
Base-Backbone interact. energy: -0.474
local terms energy: -64.777054
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -9.271
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: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -155.377765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.377765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.377765 (E_RNA)
where:
Base-Base interactions energy: -103.802
where: short stacking energy: -51.641
Base-Backbone interact. energy: 0.217
local terms energy: -51.793227
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -154.982856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.982856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.982856 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -47.038
Base-Backbone interact. energy: -0.149
local terms energy: -57.913873
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -9.655
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: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.606626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.606626 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -26.441
Base-Backbone interact. energy: 0.554
local terms energy: -48.344371
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -229.171848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.171848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.171848 (E_RNA)
where:
Base-Base interactions energy: -156.297
where: short stacking energy: -60.704
Base-Backbone interact. energy: -0.282
local terms energy: -72.592779
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -197.936147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.936147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.936147 (E_RNA)
where:
Base-Base interactions energy: -125.500
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.022
local terms energy: -72.413784
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -15.861
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: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -203.250293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250293 (E_RNA)
where:
Base-Base interactions energy: -134.163
where: short stacking energy: -58.559
Base-Backbone interact. energy: 0.209
local terms energy: -69.296072
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -189.008572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008572 (E_RNA)
where:
Base-Base interactions energy: -124.387
where: short stacking energy: -59.329
Base-Backbone interact. energy: -0.601
local terms energy: -64.020784
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -194.005305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.005305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.005305 (E_RNA)
where:
Base-Base interactions energy: -124.200
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.096
local terms energy: -69.709999
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -185.601117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.601117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.601117 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.112
local terms energy: -66.446394
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -174.414429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.414429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.414429 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.064
local terms energy: -64.720724
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -9.668
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -167.636422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.636422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.636422 (E_RNA)
where:
Base-Base interactions energy: -109.839
where: short stacking energy: -56.045
Base-Backbone interact. energy: -0.020
local terms energy: -57.776947
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -9.829
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: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -161.152203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.152203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.152203 (E_RNA)
where:
Base-Base interactions energy: -100.107
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.018
local terms energy: -61.027250
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -95.705735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.705735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.705735 (E_RNA)
where:
Base-Base interactions energy: -40.650
where: short stacking energy: -40.833
Base-Backbone interact. energy: -0.204
local terms energy: -54.851890
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -242.365267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.365267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.365267 (E_RNA)
where:
Base-Base interactions energy: -165.619
where: short stacking energy: -81.624
Base-Backbone interact. energy: -0.425
local terms energy: -76.320911
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -199.551642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.551642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.551642 (E_RNA)
where:
Base-Base interactions energy: -126.433
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.700
local terms energy: -72.418809
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -15.623
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -205.890557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.890557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.890557 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.299
local terms energy: -65.711575
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -12.423
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -190.559415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.559415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.559415 (E_RNA)
where:
Base-Base interactions energy: -119.650
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.753
local terms energy: -70.155729
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -187.254406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.254406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.254406 (E_RNA)
where:
Base-Base interactions energy: -119.617
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.116
local terms energy: -67.521487
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.523
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -178.552272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.552272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.552272 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.389
local terms energy: -64.245271
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -10.159
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: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -181.788499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788499 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.837
local terms energy: -59.010628
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -11.160
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: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -173.609536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.609536 (E_RNA)
where:
Base-Base interactions energy: -118.283
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.039
local terms energy: -55.286787
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -10.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -153.108584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.108584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.108584 (E_RNA)
where:
Base-Base interactions energy: -102.082
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.829
local terms energy: -50.197184
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -75.346073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.346073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.346073 (E_RNA)
where:
Base-Base interactions energy: -28.212
where: short stacking energy: -24.241
Base-Backbone interact. energy: -0.097
local terms energy: -47.036718
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -8.270
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -238.640839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.640839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.640839 (E_RNA)
where:
Base-Base interactions energy: -164.785
where: short stacking energy: -80.567
Base-Backbone interact. energy: -0.245
local terms energy: -73.611494
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -17.079
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: 238
Temperature: 0.950000
Total energy: -214.554037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.554037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.554037 (E_RNA)
where:
Base-Base interactions energy: -137.310
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.175
local terms energy: -77.068434
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -202.108711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.108711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.108711 (E_RNA)
where:
Base-Base interactions energy: -132.104
where: short stacking energy: -75.834
Base-Backbone interact. energy: -0.245
local terms energy: -69.759664
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -190.384133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384133 (E_RNA)
where:
Base-Base interactions energy: -126.064
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.014
local terms energy: -64.306146
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -185.593067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.593067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.593067 (E_RNA)
where:
Base-Base interactions energy: -122.568
where: short stacking energy: -62.049
Base-Backbone interact. energy: -0.001
local terms energy: -63.024293
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -170.551025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.551025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.551025 (E_RNA)
where:
Base-Base interactions energy: -112.608
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.116
local terms energy: -57.827347
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -6.383
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -179.984918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.984918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.984918 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.195
local terms energy: -59.099893
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -7.860
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -166.402411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.402411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.402411 (E_RNA)
where:
Base-Base interactions energy: -108.723
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.615
local terms energy: -57.064382
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -11.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -152.505166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.505166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.505166 (E_RNA)
where:
Base-Base interactions energy: -102.668
where: short stacking energy: -41.549
Base-Backbone interact. energy: -0.637
local terms energy: -49.199602
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -75.509136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.509136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.509136 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.134
local terms energy: -46.152771
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: 1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -238.819334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.819334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.819334 (E_RNA)
where:
Base-Base interactions energy: -164.734
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.079
local terms energy: -74.006432
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -16.433
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: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -213.974119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974119 (E_RNA)
where:
Base-Base interactions energy: -143.695
where: short stacking energy: -69.860
Base-Backbone interact. energy: 0.397
local terms energy: -70.675779
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -201.192420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.192420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.192420 (E_RNA)
where:
Base-Base interactions energy: -132.429
where: short stacking energy: -65.716
Base-Backbone interact. energy: 0.218
local terms energy: -68.982041
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -13.218
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: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -186.068495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.068495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.068495 (E_RNA)
where:
Base-Base interactions energy: -116.828
where: short stacking energy: -61.291
Base-Backbone interact. energy: 0.716
local terms energy: -69.956230
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -183.836636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.836636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.836636 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.066
local terms energy: -63.026814
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -195.256642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.256642 (E_RNA)
where:
Base-Base interactions energy: -125.114
where: short stacking energy: -56.487
Base-Backbone interact. energy: 0.612
local terms energy: -70.755245
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -15.751
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: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -169.421444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.421444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.421444 (E_RNA)
where:
Base-Base interactions energy: -116.512
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.523
local terms energy: -52.386221
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -162.366797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.366797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.366797 (E_RNA)
where:
Base-Base interactions energy: -107.243
where: short stacking energy: -55.352
Base-Backbone interact. energy: -1.062
local terms energy: -54.061640
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -1.814
tors. eta vs tors. theta energy: -11.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -163.370897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.370897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.370897 (E_RNA)
where:
Base-Base interactions energy: -106.934
where: short stacking energy: -53.027
Base-Backbone interact. energy: -0.107
local terms energy: -56.330376
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -12.352
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: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.992235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992235 (E_RNA)
where:
Base-Base interactions energy: -23.985
where: short stacking energy: -23.985
Base-Backbone interact. energy: -0.202
local terms energy: -52.805303
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -239.729272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.729272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.729272 (E_RNA)
where:
Base-Base interactions energy: -168.562
where: short stacking energy: -78.368
Base-Backbone interact. energy: -1.248
local terms energy: -69.919670
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -8.323
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: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -204.045448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.045448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.045448 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.011
local terms energy: -69.350544
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -200.615877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.615877 (E_RNA)
where:
Base-Base interactions energy: -133.992
where: short stacking energy: -73.610
Base-Backbone interact. energy: -0.042
local terms energy: -66.582329
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -185.379838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.379838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.379838 (E_RNA)
where:
Base-Base interactions energy: -119.895
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.924
local terms energy: -64.561169
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -190.404466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404466 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.457
local terms energy: -67.016114
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -183.604065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.604065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.604065 (E_RNA)
where:
Base-Base interactions energy: -117.708
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.771
local terms energy: -65.124732
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -171.859460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.859460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.859460 (E_RNA)
where:
Base-Base interactions energy: -105.281
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.801
local terms energy: -65.777262
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -10.377
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: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -156.174024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.174024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.174024 (E_RNA)
where:
Base-Base interactions energy: -107.253
where: short stacking energy: -50.574
Base-Backbone interact. energy: -0.091
local terms energy: -48.830112
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -150.277342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.277342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.277342 (E_RNA)
where:
Base-Base interactions energy: -91.123
where: short stacking energy: -41.774
Base-Backbone interact. energy: 2.091
local terms energy: -61.245570
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -116.298523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.298523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.298523 (E_RNA)
where:
Base-Base interactions energy: -58.592
where: short stacking energy: -51.773
Base-Backbone interact. energy: -0.031
local terms energy: -57.675878
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -6.628
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: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -236.964652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.964652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.964652 (E_RNA)
where:
Base-Base interactions energy: -159.737
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.305
local terms energy: -76.922794
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -10.719
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: 2, replica: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -193.988515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.988515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.988515 (E_RNA)
where:
Base-Base interactions energy: -125.913
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.014
local terms energy: -68.061561
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -190.641127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.641127 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -65.530
Base-Backbone interact. energy: 0.313
local terms energy: -71.645923
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.640
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: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -187.818421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.818421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.818421 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -65.220
Base-Backbone interact. energy: -0.003
local terms energy: -67.420822
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -18.537
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: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -188.375597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.375597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.375597 (E_RNA)
where:
Base-Base interactions energy: -120.567
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.696
local terms energy: -67.112562
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -187.876554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.876554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.876554 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -53.642
Base-Backbone interact. energy: 0.606
local terms energy: -61.895475
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -167.581527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.581527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.581527 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -53.951
Base-Backbone interact. energy: 1.649
local terms energy: -57.743000
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -9.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -161.824787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.824787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.824787 (E_RNA)
where:
Base-Base interactions energy: -102.692
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.075
local terms energy: -59.057728
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -162.593392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.593392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.593392 (E_RNA)
where:
Base-Base interactions energy: -109.045
where: short stacking energy: -48.009
Base-Backbone interact. energy: -0.087
local terms energy: -53.461677
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -10.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -95.088097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.088097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.088097 (E_RNA)
where:
Base-Base interactions energy: -36.742
where: short stacking energy: -35.812
Base-Backbone interact. energy: -0.097
local terms energy: -58.249381
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -238.758789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.758789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.758789 (E_RNA)
where:
Base-Base interactions energy: -165.318
where: short stacking energy: -74.097
Base-Backbone interact. energy: 0.509
local terms energy: -73.949629
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -203.863828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863828 (E_RNA)
where:
Base-Base interactions energy: -139.804
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.059
local terms energy: -63.999931
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -198.033031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.033031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.033031 (E_RNA)
where:
Base-Base interactions energy: -129.357
where: short stacking energy: -61.365
Base-Backbone interact. energy: -0.314
local terms energy: -68.361997
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -14.574
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: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -195.750804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.750804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.750804 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.026
local terms energy: -70.500629
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -180.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.721542 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -56.593
Base-Backbone interact. energy: -0.016
local terms energy: -66.168634
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -178.480874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.480874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.480874 (E_RNA)
where:
Base-Base interactions energy: -111.398
where: short stacking energy: -54.367
Base-Backbone interact. energy: -0.379
local terms energy: -66.703575
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -174.119348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.119348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.119348 (E_RNA)
where:
Base-Base interactions energy: -104.908
where: short stacking energy: -51.208
Base-Backbone interact. energy: -0.306
local terms energy: -68.905393
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -162.933134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.933134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.933134 (E_RNA)
where:
Base-Base interactions energy: -100.360
where: short stacking energy: -43.705
Base-Backbone interact. energy: 2.545
local terms energy: -65.119094
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.533
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: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -157.839557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.839557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.839557 (E_RNA)
where:
Base-Base interactions energy: -99.251
where: short stacking energy: -42.626
Base-Backbone interact. energy: -0.292
local terms energy: -58.296499
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -9.459
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -84.555503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555503 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.040
local terms energy: -50.929293
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -238.410384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.410384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.410384 (E_RNA)
where:
Base-Base interactions energy: -160.687
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.304
local terms energy: -77.419173
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -195.347002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.347002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.347002 (E_RNA)
where:
Base-Base interactions energy: -124.542
where: short stacking energy: -67.120
Base-Backbone interact. energy: 0.238
local terms energy: -71.042408
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -193.177024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.177024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.177024 (E_RNA)
where:
Base-Base interactions energy: -118.311
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.545
local terms energy: -74.320950
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -194.369721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.369721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.369721 (E_RNA)
where:
Base-Base interactions energy: -123.691
where: short stacking energy: -61.266
Base-Backbone interact. energy: -0.319
local terms energy: -70.359287
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -181.230636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.230636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.230636 (E_RNA)
where:
Base-Base interactions energy: -119.003
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.043
local terms energy: -62.184304
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -192.780934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.780934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780934 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -71.418
Base-Backbone interact. energy: -0.356
local terms energy: -66.331891
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -17.231
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: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -173.743277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.743277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.743277 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -48.572
Base-Backbone interact. energy: -0.245
local terms energy: -60.909125
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -166.618937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.618937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618937 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.035
local terms energy: -53.731015
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -166.906213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.906213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.906213 (E_RNA)
where:
Base-Base interactions energy: -103.678
where: short stacking energy: -52.806
Base-Backbone interact. energy: -0.019
local terms energy: -63.209092
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -78.462725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.462725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.462725 (E_RNA)
where:
Base-Base interactions energy: -21.873
where: short stacking energy: -20.231
Base-Backbone interact. energy: -0.126
local terms energy: -56.464483
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -238.268989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.268989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.268989 (E_RNA)
where:
Base-Base interactions energy: -166.605
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.637
local terms energy: -71.026560
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.634
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: 2, replica: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -202.157712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.157712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.157712 (E_RNA)
where:
Base-Base interactions energy: -129.914
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.036
local terms energy: -72.208561
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -202.650603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.650603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.650603 (E_RNA)
where:
Base-Base interactions energy: -127.346
where: short stacking energy: -68.326
Base-Backbone interact. energy: -0.575
local terms energy: -74.729493
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -202.344593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.344593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.344593 (E_RNA)
where:
Base-Base interactions energy: -138.498
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.028
local terms energy: -63.818424
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -186.115509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115509 (E_RNA)
where:
Base-Base interactions energy: -120.878
where: short stacking energy: -61.014
Base-Backbone interact. energy: 0.346
local terms energy: -65.583537
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -8.034
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: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -189.767014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.767014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.767014 (E_RNA)
where:
Base-Base interactions energy: -124.593
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.281
local terms energy: -64.893165
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.911
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -165.403030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.403030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.403030 (E_RNA)
where:
Base-Base interactions energy: -116.228
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.602
local terms energy: -48.573082
where:
bonds (distance) C4'-P energy: -8.177
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -8.768
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -161.495765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.495765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.495765 (E_RNA)
where:
Base-Base interactions energy: -105.935
where: short stacking energy: -50.131
Base-Backbone interact. energy: -0.140
local terms energy: -55.420969
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -8.422
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: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -158.378458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.378458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.378458 (E_RNA)
where:
Base-Base interactions energy: -105.181
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.006
local terms energy: -53.191285
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -83.955613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.955613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.955613 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -31.909
Base-Backbone interact. energy: -0.004
local terms energy: -51.180544
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -243.490046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.490046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.490046 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -71.217
Base-Backbone interact. energy: -0.812
local terms energy: -73.981061
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -20.590
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: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -211.423906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423906 (E_RNA)
where:
Base-Base interactions energy: -138.865
where: short stacking energy: -68.441
Base-Backbone interact. energy: 1.898
local terms energy: -74.456900
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -16.195
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: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -191.721733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.721733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.721733 (E_RNA)
where:
Base-Base interactions energy: -120.918
where: short stacking energy: -64.809
Base-Backbone interact. energy: -0.147
local terms energy: -70.656969
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -12.897
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -205.219732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219732 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.098
local terms energy: -68.815909
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -177.563551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563551 (E_RNA)
where:
Base-Base interactions energy: -115.928
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.021
local terms energy: -61.614058
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -13.649
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: 245
Temperature: 1.150000
Total energy: -181.024662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.024662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.024662 (E_RNA)
where:
Base-Base interactions energy: -114.394
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.142
local terms energy: -66.489281
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -11.966
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: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -176.689067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.689067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.689067 (E_RNA)
where:
Base-Base interactions energy: -112.900
where: short stacking energy: -53.864
Base-Backbone interact. energy: -0.657
local terms energy: -63.132174
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -164.311144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.311144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.311144 (E_RNA)
where:
Base-Base interactions energy: -105.176
where: short stacking energy: -52.254
Base-Backbone interact. energy: -1.148
local terms energy: -57.987352
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -161.882606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.882606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.882606 (E_RNA)
where:
Base-Base interactions energy: -106.919
where: short stacking energy: -47.258
Base-Backbone interact. energy: -0.025
local terms energy: -54.938326
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -1.844
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: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -86.671346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.671346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.671346 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -31.988
Base-Backbone interact. energy: -0.685
local terms energy: -49.535417
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -237.018827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.018827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.018827 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -74.136
Base-Backbone interact. energy: -1.676
local terms energy: -73.743302
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -209.172164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172164 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.810
local terms energy: -70.012995
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -12.142
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: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -191.916680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.916680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.916680 (E_RNA)
where:
Base-Base interactions energy: -126.845
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.355
local terms energy: -64.716293
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -198.475130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.475130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.475130 (E_RNA)
where:
Base-Base interactions energy: -129.054
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.792
local terms energy: -68.629816
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -186.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.724607 (E_RNA)
where:
Base-Base interactions energy: -116.000
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.150
local terms energy: -70.575132
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -183.889300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.889300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.889300 (E_RNA)
where:
Base-Base interactions energy: -127.780
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.005
local terms energy: -56.104585
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -7.252
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -177.602003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.602003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.602003 (E_RNA)
where:
Base-Base interactions energy: -112.987
where: short stacking energy: -54.393
Base-Backbone interact. energy: -0.384
local terms energy: -64.230780
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -168.571507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.571507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.571507 (E_RNA)
where:
Base-Base interactions energy: -115.887
where: short stacking energy: -59.307
Base-Backbone interact. energy: -0.025
local terms energy: -52.660009
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -7.054
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -158.630046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.630046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.630046 (E_RNA)
where:
Base-Base interactions energy: -103.098
where: short stacking energy: -43.418
Base-Backbone interact. energy: 0.948
local terms energy: -56.480005
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -76.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.770376 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -31.545
Base-Backbone interact. energy: 0.735
local terms energy: -43.152448
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -8.208
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -236.338686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.338686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.338686 (E_RNA)
where:
Base-Base interactions energy: -159.193
where: short stacking energy: -72.551
Base-Backbone interact. energy: -1.103
local terms energy: -76.042246
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -198.332289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.332289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.332289 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -64.700
Base-Backbone interact. energy: -0.027
local terms energy: -68.392938
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -201.806242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.806242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.806242 (E_RNA)
where:
Base-Base interactions energy: -135.264
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.035
local terms energy: -66.506981
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -173.500107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.500107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.500107 (E_RNA)
where:
Base-Base interactions energy: -110.733
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.068
local terms energy: -62.699831
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -182.380762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.380762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.380762 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.602
local terms energy: -55.715556
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -10.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -189.788807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.788807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.788807 (E_RNA)
where:
Base-Base interactions energy: -120.019
where: short stacking energy: -69.390
Base-Backbone interact. energy: -0.005
local terms energy: -69.765391
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -188.459144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.459144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.459144 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.038
local terms energy: -70.748930
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -158.621904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.621904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.621904 (E_RNA)
where:
Base-Base interactions energy: -108.838
where: short stacking energy: -41.621
Base-Backbone interact. energy: -0.783
local terms energy: -49.000748
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -157.785630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.785630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.785630 (E_RNA)
where:
Base-Base interactions energy: -101.942
where: short stacking energy: -47.899
Base-Backbone interact. energy: -0.099
local terms energy: -55.743952
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -75.672724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.672724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.672724 (E_RNA)
where:
Base-Base interactions energy: -27.358
where: short stacking energy: -27.358
Base-Backbone interact. energy: -0.540
local terms energy: -47.774979
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: 1.233
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: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -238.260815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.260815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.260815 (E_RNA)
where:
Base-Base interactions energy: -156.550
where: short stacking energy: -72.625
Base-Backbone interact. energy: -0.953
local terms energy: -80.757525
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -201.388108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.388108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.388108 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.198
local terms energy: -63.685107
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -194.858254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.858254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.858254 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.157
local terms energy: -71.341818
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -188.473157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.473157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.473157 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -65.726
Base-Backbone interact. energy: -0.040
local terms energy: -60.749021
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -191.245884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.245884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.245884 (E_RNA)
where:
Base-Base interactions energy: -121.791
where: short stacking energy: -59.956
Base-Backbone interact. energy: 0.326
local terms energy: -69.781065
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -15.839
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: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -169.599745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.599745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.599745 (E_RNA)
where:
Base-Base interactions energy: -110.210
where: short stacking energy: -56.797
Base-Backbone interact. energy: 0.251
local terms energy: -59.641009
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -175.143003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.143003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.143003 (E_RNA)
where:
Base-Base interactions energy: -106.241
where: short stacking energy: -54.953
Base-Backbone interact. energy: -0.439
local terms energy: -68.463521
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -174.538459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.538459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.538459 (E_RNA)
where:
Base-Base interactions energy: -110.435
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.138
local terms energy: -63.964863
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -169.615712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.615712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.615712 (E_RNA)
where:
Base-Base interactions energy: -113.274
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.576
local terms energy: -55.765611
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -10.708
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: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -79.926274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926274 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -33.366
Base-Backbone interact. energy: -0.172
local terms energy: -45.883600
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -241.411093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.411093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.411093 (E_RNA)
where:
Base-Base interactions energy: -164.008
where: short stacking energy: -71.491
Base-Backbone interact. energy: -0.035
local terms energy: -77.368956
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -200.416564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.416564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.416564 (E_RNA)
where:
Base-Base interactions energy: -126.213
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.030
local terms energy: -74.174034
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -189.202912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.202912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.202912 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.832
local terms energy: -72.572094
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -195.944908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.944908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.944908 (E_RNA)
where:
Base-Base interactions energy: -117.454
where: short stacking energy: -57.014
Base-Backbone interact. energy: -0.674
local terms energy: -77.817062
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -11.655
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: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -179.172128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.172128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.172128 (E_RNA)
where:
Base-Base interactions energy: -112.773
where: short stacking energy: -64.678
Base-Backbone interact. energy: -0.005
local terms energy: -66.394472
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -179.134811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.134811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.134811 (E_RNA)
where:
Base-Base interactions energy: -113.951
where: short stacking energy: -66.178
Base-Backbone interact. energy: -0.014
local terms energy: -65.169892
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -7.892
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: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -156.067308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.067308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.067308 (E_RNA)
where:
Base-Base interactions energy: -99.435
where: short stacking energy: -40.978
Base-Backbone interact. energy: -0.238
local terms energy: -56.394642
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -10.898
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: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -172.202499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.202499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.202499 (E_RNA)
where:
Base-Base interactions energy: -104.390
where: short stacking energy: -50.359
Base-Backbone interact. energy: -0.577
local terms energy: -67.234662
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -162.216408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.216408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.216408 (E_RNA)
where:
Base-Base interactions energy: -104.908
where: short stacking energy: -51.959
Base-Backbone interact. energy: 0.097
local terms energy: -57.405949
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -78.741135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.741135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.741135 (E_RNA)
where:
Base-Base interactions energy: -32.837
where: short stacking energy: -32.837
Base-Backbone interact. energy: -0.263
local terms energy: -45.640814
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -5.863
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -5.317
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: 250
Temperature: 0.900000
Total energy: -240.451333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.451333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.451333 (E_RNA)
where:
Base-Base interactions energy: -167.433
where: short stacking energy: -77.507
Base-Backbone interact. energy: -0.443
local terms energy: -72.574572
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -209.478560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.478560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.478560 (E_RNA)
where:
Base-Base interactions energy: -134.049
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.006
local terms energy: -75.423224
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -191.684076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.684076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.684076 (E_RNA)
where:
Base-Base interactions energy: -122.981
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.500
local terms energy: -68.202796
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -13.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -200.682573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.682573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.682573 (E_RNA)
where:
Base-Base interactions energy: -133.586
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.031
local terms energy: -67.066248
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -188.482581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.482581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.482581 (E_RNA)
where:
Base-Base interactions energy: -119.532
where: short stacking energy: -69.161
Base-Backbone interact. energy: 0.278
local terms energy: -69.228206
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -11.301
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -193.597473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.597473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.597473 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -58.906
Base-Backbone interact. energy: -0.423
local terms energy: -65.434461
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -170.007894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.007894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.007894 (E_RNA)
where:
Base-Base interactions energy: -109.594
where: short stacking energy: -54.968
Base-Backbone interact. energy: 0.515
local terms energy: -60.928147
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -163.529445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.529445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.529445 (E_RNA)
where:
Base-Base interactions energy: -106.592
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.188
local terms energy: -56.748581
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -8.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -165.428274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.428274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.428274 (E_RNA)
where:
Base-Base interactions energy: -103.978
where: short stacking energy: -52.460
Base-Backbone interact. energy: -0.123
local terms energy: -61.327654
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -8.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -90.979081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.979081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.979081 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -39.618
Base-Backbone interact. energy: 0.294
local terms energy: -51.654384
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -237.554657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.554657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.554657 (E_RNA)
where:
Base-Base interactions energy: -162.607
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.138
local terms energy: -74.809721
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -203.571172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.571172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.571172 (E_RNA)
where:
Base-Base interactions energy: -127.106
where: short stacking energy: -71.199
Base-Backbone interact. energy: 0.015
local terms energy: -76.479677
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -205.045769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.045769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.045769 (E_RNA)
where:
Base-Base interactions energy: -136.233
where: short stacking energy: -70.406
Base-Backbone interact. energy: 0.317
local terms energy: -69.130401
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -202.635550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.635550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.635550 (E_RNA)
where:
Base-Base interactions energy: -133.615
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.454
local terms energy: -68.567162
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -184.514570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.514570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514570 (E_RNA)
where:
Base-Base interactions energy: -115.475
where: short stacking energy: -60.133
Base-Backbone interact. energy: 0.185
local terms energy: -69.224339
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -200.680337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.680337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.680337 (E_RNA)
where:
Base-Base interactions energy: -135.784
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.111
local terms energy: -64.784643
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -178.551960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.551960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.551960 (E_RNA)
where:
Base-Base interactions energy: -117.741
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.087
local terms energy: -60.723697
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -173.334826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.334826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.334826 (E_RNA)
where:
Base-Base interactions energy: -108.461
where: short stacking energy: -55.172
Base-Backbone interact. energy: -0.047
local terms energy: -64.827713
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -163.594457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.594457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.594457 (E_RNA)
where:
Base-Base interactions energy: -100.782
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.435
local terms energy: -62.377687
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -89.707105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.707105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.707105 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -29.882
Base-Backbone interact. energy: 0.446
local terms energy: -57.752759
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -241.212082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.212082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.212082 (E_RNA)
where:
Base-Base interactions energy: -167.051
where: short stacking energy: -75.084
Base-Backbone interact. energy: -0.273
local terms energy: -73.887981
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -15.263
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: 252
Temperature: 0.950000
Total energy: -214.757564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.757564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.757564 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -73.213
Base-Backbone interact. energy: -0.134
local terms energy: -74.947021
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -198.480903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.480903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.480903 (E_RNA)
where:
Base-Base interactions energy: -129.684
where: short stacking energy: -63.581
Base-Backbone interact. energy: -0.009
local terms energy: -68.788500
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -194.997086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.997086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.997086 (E_RNA)
where:
Base-Base interactions energy: -117.115
where: short stacking energy: -61.708
Base-Backbone interact. energy: -0.001
local terms energy: -77.881029
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.972
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -213.749364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.749364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.749364 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -64.845
Base-Backbone interact. energy: 0.810
local terms energy: -60.322097
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -186.733686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.733686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.733686 (E_RNA)
where:
Base-Base interactions energy: -112.591
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.016
local terms energy: -74.127219
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -181.187678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.187678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.187678 (E_RNA)
where:
Base-Base interactions energy: -111.052
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.216
local terms energy: -69.919018
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -169.468675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.468675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.468675 (E_RNA)
where:
Base-Base interactions energy: -108.896
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.038
local terms energy: -60.534970
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -10.992
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: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -184.246633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.246633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246633 (E_RNA)
where:
Base-Base interactions energy: -119.747
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.082
local terms energy: -64.418442
where:
bonds (distance) C4'-P energy: -8.511
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -89.116628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.116628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.116628 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -32.947
Base-Backbone interact. energy: -0.023
local terms energy: -52.227666
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.506
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: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -243.136509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.136509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.136509 (E_RNA)
where:
Base-Base interactions energy: -162.077
where: short stacking energy: -79.769
Base-Backbone interact. energy: 1.654
local terms energy: -82.713048
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -203.902641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.902641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.902641 (E_RNA)
where:
Base-Base interactions energy: -135.745
where: short stacking energy: -71.616
Base-Backbone interact. energy: 0.321
local terms energy: -68.479196
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -196.094594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.094594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.094594 (E_RNA)
where:
Base-Base interactions energy: -127.329
where: short stacking energy: -65.729
Base-Backbone interact. energy: 0.325
local terms energy: -69.090126
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -18.843
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: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -221.887073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.887073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.887073 (E_RNA)
where:
Base-Base interactions energy: -151.906
where: short stacking energy: -61.837
Base-Backbone interact. energy: -1.827
local terms energy: -68.153822
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -17.802
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: 253
Temperature: 1.100000
Total energy: -192.437147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.437147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.437147 (E_RNA)
where:
Base-Base interactions energy: -123.129
where: short stacking energy: -57.008
Base-Backbone interact. energy: -0.327
local terms energy: -68.981929
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -182.085832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085832 (E_RNA)
where:
Base-Base interactions energy: -116.692
where: short stacking energy: -59.623
Base-Backbone interact. energy: 0.890
local terms energy: -66.283406
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -181.324680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.324680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.324680 (E_RNA)
where:
Base-Base interactions energy: -106.468
where: short stacking energy: -51.597
Base-Backbone interact. energy: -0.009
local terms energy: -74.847317
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -14.414
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: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -174.133333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.133333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.133333 (E_RNA)
where:
Base-Base interactions energy: -115.248
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.063
local terms energy: -58.822271
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -169.002480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.002480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.002480 (E_RNA)
where:
Base-Base interactions energy: -107.146
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.108
local terms energy: -61.748709
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.821632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.821632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.821632 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.696
local terms energy: -46.601542
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -241.745770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.745770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.745770 (E_RNA)
where:
Base-Base interactions energy: -168.150
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.237
local terms energy: -73.358742
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -204.426145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426145 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -68.592
Base-Backbone interact. energy: -0.059
local terms energy: -67.123409
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -12.215
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: 254
Temperature: 1.000000
Total energy: -226.228367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.228367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.228367 (E_RNA)
where:
Base-Base interactions energy: -155.171
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.861
local terms energy: -70.196236
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -15.217
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: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -192.744617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.744617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.744617 (E_RNA)
where:
Base-Base interactions energy: -130.735
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.115
local terms energy: -61.895525
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -192.562195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.562195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.562195 (E_RNA)
where:
Base-Base interactions energy: -119.706
where: short stacking energy: -63.850
Base-Backbone interact. energy: -0.013
local terms energy: -72.842695
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -17.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -180.410400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.410400 (E_RNA)
where:
Base-Base interactions energy: -116.517
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.021
local terms energy: -63.872319
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -170.581853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.581853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.581853 (E_RNA)
where:
Base-Base interactions energy: -106.554
where: short stacking energy: -52.286
Base-Backbone interact. energy: -0.149
local terms energy: -63.879585
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -174.328390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.328390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.328390 (E_RNA)
where:
Base-Base interactions energy: -114.788
where: short stacking energy: -59.096
Base-Backbone interact. energy: 0.149
local terms energy: -59.689667
where:
bonds (distance) C4'-P energy: -7.699
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -16.105
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -165.711362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.711362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.711362 (E_RNA)
where:
Base-Base interactions energy: -105.455
where: short stacking energy: -48.010
Base-Backbone interact. energy: -0.013
local terms energy: -60.243832
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -79.592187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.592187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.592187 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -27.798
Base-Backbone interact. energy: -0.145
local terms energy: -45.979356
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -2.456
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: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -244.101920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.101920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.101920 (E_RNA)
where:
Base-Base interactions energy: -165.470
where: short stacking energy: -74.703
Base-Backbone interact. energy: 0.203
local terms energy: -78.835131
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -235.659347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.659347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.659347 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -78.683
Base-Backbone interact. energy: -0.574
local terms energy: -78.833598
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -190.132067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.132067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.132067 (E_RNA)
where:
Base-Base interactions energy: -125.957
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.069
local terms energy: -64.105138
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -198.239111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.239111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.239111 (E_RNA)
where:
Base-Base interactions energy: -122.705
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.004
local terms energy: -75.530668
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -184.532685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.532685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.532685 (E_RNA)
where:
Base-Base interactions energy: -114.857
where: short stacking energy: -58.416
Base-Backbone interact. energy: 0.775
local terms energy: -70.449877
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -186.279591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.279591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.279591 (E_RNA)
where:
Base-Base interactions energy: -116.939
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.003
local terms energy: -69.337465
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -170.949304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.949304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.949304 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -56.283
Base-Backbone interact. energy: -0.358
local terms energy: -54.657740
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -11.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -168.858241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.858241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.858241 (E_RNA)
where:
Base-Base interactions energy: -106.875
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.034
local terms energy: -61.949926
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -11.244
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: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -169.280663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.280663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.280663 (E_RNA)
where:
Base-Base interactions energy: -103.135
where: short stacking energy: -54.551
Base-Backbone interact. energy: -0.441
local terms energy: -65.704785
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -16.124
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: 255
Temperature: 1.350000
Total energy: -80.223036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.223036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.223036 (E_RNA)
where:
Base-Base interactions energy: -34.632
where: short stacking energy: -34.632
Base-Backbone interact. energy: -0.047
local terms energy: -45.543859
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.518
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: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -230.354792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.354792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.354792 (E_RNA)
where:
Base-Base interactions energy: -158.572
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.757
local terms energy: -71.025261
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -228.493336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.493336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.493336 (E_RNA)
where:
Base-Base interactions energy: -160.446
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.587
local terms energy: -67.460655
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -203.622494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.622494 (E_RNA)
where:
Base-Base interactions energy: -139.610
where: short stacking energy: -63.300
Base-Backbone interact. energy: -0.076
local terms energy: -63.936681
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -4.938
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: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -189.965286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.965286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.965286 (E_RNA)
where:
Base-Base interactions energy: -125.975
where: short stacking energy: -67.569
Base-Backbone interact. energy: -0.125
local terms energy: -63.865857
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -197.534556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.534556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.534556 (E_RNA)
where:
Base-Base interactions energy: -131.222
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.003
local terms energy: -66.309956
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -178.072232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.072232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.072232 (E_RNA)
where:
Base-Base interactions energy: -109.164
where: short stacking energy: -54.578
Base-Backbone interact. energy: -0.587
local terms energy: -68.321781
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -13.499
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: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -175.383601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.383601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.383601 (E_RNA)
where:
Base-Base interactions energy: -121.808
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.161
local terms energy: -53.414587
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -165.147122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.147122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.147122 (E_RNA)
where:
Base-Base interactions energy: -108.560
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.044
local terms energy: -56.543353
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -172.436086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.436086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.436086 (E_RNA)
where:
Base-Base interactions energy: -109.069
where: short stacking energy: -60.639
Base-Backbone interact. energy: -0.014
local terms energy: -63.352921
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -102.018551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018551 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -24.612
Base-Backbone interact. energy: -1.173
local terms energy: -58.300874
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -1.003
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: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -240.661839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.661839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.661839 (E_RNA)
where:
Base-Base interactions energy: -168.473
where: short stacking energy: -74.473
Base-Backbone interact. energy: -0.425
local terms energy: -71.763408
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -235.728986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.728986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.728986 (E_RNA)
where:
Base-Base interactions energy: -163.250
where: short stacking energy: -72.960
Base-Backbone interact. energy: -1.200
local terms energy: -71.278744
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -201.790498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.790498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.790498 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.782
local terms energy: -73.468379
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -185.547710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.547710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.547710 (E_RNA)
where:
Base-Base interactions energy: -115.757
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.068
local terms energy: -69.722564
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -10.731
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: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -181.665378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.665378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.665378 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.134
local terms energy: -63.622173
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -189.410704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.410704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.410704 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.044
local terms energy: -68.904555
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -11.330
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: 257
Temperature: 1.200000
Total energy: -178.438999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.438999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.438999 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.720
local terms energy: -56.051153
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -2.584
tors. eta vs tors. theta energy: -9.968
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: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -188.726148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.726148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.726148 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.586
local terms energy: -72.772281
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -167.284224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.284224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.284224 (E_RNA)
where:
Base-Base interactions energy: -115.688
where: short stacking energy: -56.073
Base-Backbone interact. energy: 3.777
local terms energy: -55.373347
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -9.482
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: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -128.541561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.541561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.541561 (E_RNA)
where:
Base-Base interactions energy: -77.600
where: short stacking energy: -29.561
Base-Backbone interact. energy: 0.939
local terms energy: -51.880235
where:
bonds (distance) C4'-P energy: -2.572
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -243.872417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.872417 (E_RNA)
where:
Base-Base interactions energy: -166.652
where: short stacking energy: -70.856
Base-Backbone interact. energy: -0.977
local terms energy: -76.243565
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -17.854
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: 2, replica: 10
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -235.701354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.701354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.701354 (E_RNA)
where:
Base-Base interactions energy: -160.995
where: short stacking energy: -64.056
Base-Backbone interact. energy: -1.658
local terms energy: -73.047550
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -207.649901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.649901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.649901 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -56.279
Base-Backbone interact. energy: 0.364
local terms energy: -67.525512
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -194.849261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.849261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.849261 (E_RNA)
where:
Base-Base interactions energy: -119.794
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.014
local terms energy: -75.041544
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -18.963
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: 258
Temperature: 1.100000
Total energy: -182.911589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.911589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.911589 (E_RNA)
where:
Base-Base interactions energy: -114.038
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.297
local terms energy: -68.576055
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -175.282363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.282363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.282363 (E_RNA)
where:
Base-Base interactions energy: -112.467
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.111
local terms energy: -62.704556
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -12.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -186.735452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.735452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.735452 (E_RNA)
where:
Base-Base interactions energy: -114.213
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.014
local terms energy: -72.508250
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -14.009
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: 258
Temperature: 1.250000
Total energy: -163.405211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405211 (E_RNA)
where:
Base-Base interactions energy: -101.278
where: short stacking energy: -41.381
Base-Backbone interact. energy: -0.112
local terms energy: -62.015386
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -9.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -159.846184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.846184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.846184 (E_RNA)
where:
Base-Base interactions energy: -98.981
where: short stacking energy: -45.138
Base-Backbone interact. energy: -0.575
local terms energy: -60.289777
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -153.300401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.300401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.300401 (E_RNA)
where:
Base-Base interactions energy: -99.871
where: short stacking energy: -46.035
Base-Backbone interact. energy: -0.088
local terms energy: -53.341236
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -9.344
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -242.160606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.160606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.160606 (E_RNA)
where:
Base-Base interactions energy: -165.209
where: short stacking energy: -68.169
Base-Backbone interact. energy: -0.579
local terms energy: -76.372616
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -224.277929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.277929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.277929 (E_RNA)
where:
Base-Base interactions energy: -149.078
where: short stacking energy: -76.745
Base-Backbone interact. energy: -0.342
local terms energy: -74.857564
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -226.432600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432600 (E_RNA)
where:
Base-Base interactions energy: -163.964
where: short stacking energy: -63.198
Base-Backbone interact. energy: 0.244
local terms energy: -62.712393
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -186.844354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.844354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.844354 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -54.437
Base-Backbone interact. energy: -0.052
local terms energy: -59.791687
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -185.998584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.998584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.998584 (E_RNA)
where:
Base-Base interactions energy: -120.087
where: short stacking energy: -64.731
Base-Backbone interact. energy: 1.909
local terms energy: -67.820483
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -181.690434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.690434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.690434 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -56.674
Base-Backbone interact. energy: -0.590
local terms energy: -61.902145
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -7.883
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -180.860996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.860996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.860996 (E_RNA)
where:
Base-Base interactions energy: -113.605
where: short stacking energy: -48.079
Base-Backbone interact. energy: 0.387
local terms energy: -67.642769
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -14.019
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: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -179.005670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.005670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.005670 (E_RNA)
where:
Base-Base interactions energy: -121.748
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.419
local terms energy: -56.838407
where:
bonds (distance) C4'-P energy: -6.655
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -155.503918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.503918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.503918 (E_RNA)
where:
Base-Base interactions energy: -104.082
where: short stacking energy: -48.212
Base-Backbone interact. energy: -0.114
local terms energy: -51.308225
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -156.133966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.133966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.133966 (E_RNA)
where:
Base-Base interactions energy: -109.363
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.722
local terms energy: -46.048543
where:
bonds (distance) C4'-P energy: -4.403
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -222.934799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.934799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.934799 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.004
local terms energy: -80.113201
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -11.989
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: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -236.616627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.616627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.616627 (E_RNA)
where:
Base-Base interactions energy: -166.477
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.434
local terms energy: -69.705014
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -19.053
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: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -230.258217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.258217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.258217 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.640
local terms energy: -72.369666
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -189.972735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.972735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.972735 (E_RNA)
where:
Base-Base interactions energy: -124.325
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.010
local terms energy: -65.637772
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -15.022
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: 260
Temperature: 1.100000
Total energy: -204.023282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.023282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.023282 (E_RNA)
where:
Base-Base interactions energy: -137.735
where: short stacking energy: -61.431
Base-Backbone interact. energy: 0.684
local terms energy: -66.971633
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.545
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -179.010619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.010619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.010619 (E_RNA)
where:
Base-Base interactions energy: -116.087
where: short stacking energy: -52.464
Base-Backbone interact. energy: 0.012
local terms energy: -62.934723
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -174.258106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.258106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.258106 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -50.318
Base-Backbone interact. energy: -1.687
local terms energy: -56.859358
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -2.858
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -170.077999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.077999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.077999 (E_RNA)
where:
Base-Base interactions energy: -109.880
where: short stacking energy: -51.093
Base-Backbone interact. energy: -1.002
local terms energy: -59.196018
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -167.262596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.262596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.262596 (E_RNA)
where:
Base-Base interactions energy: -111.705
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.135
local terms energy: -55.422921
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -8.270
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: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -167.620005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.620005 (E_RNA)
where:
Base-Base interactions energy: -104.878
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.023
local terms energy: -62.719057
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -221.492762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.492762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.492762 (E_RNA)
where:
Base-Base interactions energy: -142.046
where: short stacking energy: -71.621
Base-Backbone interact. energy: 1.118
local terms energy: -80.564782
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -235.242553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.242553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.242553 (E_RNA)
where:
Base-Base interactions energy: -165.274
where: short stacking energy: -71.368
Base-Backbone interact. energy: 0.866
local terms energy: -70.834526
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -233.164578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.164578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.164578 (E_RNA)
where:
Base-Base interactions energy: -165.471
where: short stacking energy: -77.757
Base-Backbone interact. energy: 1.969
local terms energy: -69.662294
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -185.074774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.074774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.074774 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.009
local terms energy: -63.597993
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -179.699032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.699032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.699032 (E_RNA)
where:
Base-Base interactions energy: -121.684
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.300
local terms energy: -57.715343
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -176.490019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.490019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.490019 (E_RNA)
where:
Base-Base interactions energy: -114.738
where: short stacking energy: -46.432
Base-Backbone interact. energy: -0.082
local terms energy: -61.670359
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -188.592274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.592274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.592274 (E_RNA)
where:
Base-Base interactions energy: -122.949
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.004
local terms energy: -65.639695
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -177.497444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.497444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.497444 (E_RNA)
where:
Base-Base interactions energy: -115.668
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.494
local terms energy: -61.335087
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -166.997382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.997382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.997382 (E_RNA)
where:
Base-Base interactions energy: -102.807
where: short stacking energy: -47.975
Base-Backbone interact. energy: -0.193
local terms energy: -63.997478
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -12.058
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -13.698
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: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -152.539426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.539426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.539426 (E_RNA)
where:
Base-Base interactions energy: -97.354
where: short stacking energy: -44.464
Base-Backbone interact. energy: -0.963
local terms energy: -54.222457
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -6.636
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: 262
Temperature: 0.900000
Total energy: -237.114188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.114188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.114188 (E_RNA)
where:
Base-Base interactions energy: -159.988
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.517
local terms energy: -76.609293
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -210.639230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639230 (E_RNA)
where:
Base-Base interactions energy: -132.633
where: short stacking energy: -74.877
Base-Backbone interact. energy: -0.183
local terms energy: -77.823144
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -196.467572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.467572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.467572 (E_RNA)
where:
Base-Base interactions energy: -124.598
where: short stacking energy: -67.461
Base-Backbone interact. energy: -0.006
local terms energy: -71.864247
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -8.393
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: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -224.547394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547394 (E_RNA)
where:
Base-Base interactions energy: -154.330
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.264
local terms energy: -69.953492
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -193.663001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.663001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.663001 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -59.690
Base-Backbone interact. energy: -1.189
local terms energy: -60.384069
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -10.115
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: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -179.937920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.937920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.937920 (E_RNA)
where:
Base-Base interactions energy: -112.883
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.034
local terms energy: -67.020783
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -176.776390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.776390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.776390 (E_RNA)
where:
Base-Base interactions energy: -112.152
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.015
local terms energy: -64.610032
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -179.810419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.810419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.810419 (E_RNA)
where:
Base-Base interactions energy: -109.298
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.770
local terms energy: -69.743369
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -170.174735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.174735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.174735 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.341
local terms energy: -56.109816
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -14.569
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: 262
Temperature: 1.350000
Total energy: -158.370523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.370523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.370523 (E_RNA)
where:
Base-Base interactions energy: -101.116
where: short stacking energy: -45.403
Base-Backbone interact. energy: -0.640
local terms energy: -56.614435
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -12.074
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -240.289935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.289935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.289935 (E_RNA)
where:
Base-Base interactions energy: -163.746
where: short stacking energy: -79.697
Base-Backbone interact. energy: -0.268
local terms energy: -76.275976
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -19.525
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: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -205.161546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.161546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.161546 (E_RNA)
where:
Base-Base interactions energy: -133.584
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.138
local terms energy: -71.439816
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -211.276901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.276901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276901 (E_RNA)
where:
Base-Base interactions energy: -140.555
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.147
local terms energy: -70.575243
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -216.179250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.179250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.179250 (E_RNA)
where:
Base-Base interactions energy: -147.683
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.455
local terms energy: -68.040422
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -187.392696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392696 (E_RNA)
where:
Base-Base interactions energy: -121.716
where: short stacking energy: -61.323
Base-Backbone interact. energy: -0.574
local terms energy: -65.102822
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -172.292514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.292514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.292514 (E_RNA)
where:
Base-Base interactions energy: -109.119
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.138
local terms energy: -63.035524
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -173.614615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.614615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.614615 (E_RNA)
where:
Base-Base interactions energy: -117.563
where: short stacking energy: -46.904
Base-Backbone interact. energy: -0.730
local terms energy: -55.321823
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -172.122105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.122105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.122105 (E_RNA)
where:
Base-Base interactions energy: -116.525
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.029
local terms energy: -55.569001
where:
bonds (distance) C4'-P energy: -9.442
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -14.660
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: 263
Temperature: 1.300000
Total energy: -177.702026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.702026 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -60.584
Base-Backbone interact. energy: 3.643
local terms energy: -60.154522
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -151.512304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.512304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.512304 (E_RNA)
where:
Base-Base interactions energy: -94.708
where: short stacking energy: -48.584
Base-Backbone interact. energy: -0.078
local terms energy: -56.725928
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -213.104376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.104376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.104376 (E_RNA)
where:
Base-Base interactions energy: -138.696
where: short stacking energy: -75.308
Base-Backbone interact. energy: -0.044
local terms energy: -74.363929
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -225.267796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.267796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.267796 (E_RNA)
where:
Base-Base interactions energy: -155.104
where: short stacking energy: -65.046
Base-Backbone interact. energy: -0.581
local terms energy: -69.582645
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -193.822140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.822140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.822140 (E_RNA)
where:
Base-Base interactions energy: -123.264
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.402
local terms energy: -70.156479
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -195.270794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.270794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.270794 (E_RNA)
where:
Base-Base interactions energy: -133.089
where: short stacking energy: -66.487
Base-Backbone interact. energy: -1.246
local terms energy: -60.935500
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -17.282
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: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -188.172624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.172624 (E_RNA)
where:
Base-Base interactions energy: -117.844
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.404
local terms energy: -69.924224
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -171.414408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.414408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.414408 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.006
local terms energy: -55.688435
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -7.638
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -14.638
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: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -171.772436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.772436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.772436 (E_RNA)
where:
Base-Base interactions energy: -116.478
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.115
local terms energy: -55.179443
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -4.703
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: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -172.131177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.131177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.131177 (E_RNA)
where:
Base-Base interactions energy: -110.316
where: short stacking energy: -51.443
Base-Backbone interact. energy: -0.357
local terms energy: -61.458393
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: -11.939
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: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -154.524467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.524467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.524467 (E_RNA)
where:
Base-Base interactions energy: -97.659
where: short stacking energy: -42.678
Base-Backbone interact. energy: 1.696
local terms energy: -58.561659
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -144.564218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.564218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.564218 (E_RNA)
where:
Base-Base interactions energy: -103.023
where: short stacking energy: -48.131
Base-Backbone interact. energy: -0.018
local terms energy: -41.523188
where:
bonds (distance) C4'-P energy: -7.389
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -4.824
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: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -218.999551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.999551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.999551 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.267
local terms energy: -84.547149
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -21.157
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: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -227.097198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.097198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.097198 (E_RNA)
where:
Base-Base interactions energy: -152.718
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.409
local terms energy: -73.970144
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -14.514
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -198.646084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.646084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.646084 (E_RNA)
where:
Base-Base interactions energy: -125.027
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.131
local terms energy: -73.487703
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -201.778413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.778413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.778413 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.187
local terms energy: -68.955981
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -16.559
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: 265
Temperature: 1.100000
Total energy: -194.412757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.412757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.412757 (E_RNA)
where:
Base-Base interactions energy: -121.690
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.575
local terms energy: -72.148314
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.072
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -179.303017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.303017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.303017 (E_RNA)
where:
Base-Base interactions energy: -112.104
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.024
local terms energy: -67.174781
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -165.745132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.745132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.745132 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.107
local terms energy: -51.086830
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -160.084673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.084673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.084673 (E_RNA)
where:
Base-Base interactions energy: -101.300
where: short stacking energy: -53.151
Base-Backbone interact. energy: -0.077
local terms energy: -58.708145
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -11.161
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: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -172.107547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.107547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.107547 (E_RNA)
where:
Base-Base interactions energy: -109.353
where: short stacking energy: -50.302
Base-Backbone interact. energy: -0.489
local terms energy: -62.265179
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -145.823427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.823427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.823427 (E_RNA)
where:
Base-Base interactions energy: -93.134
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.118
local terms energy: -52.572310
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -9.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -230.126813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.126813 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -74.916
Base-Backbone interact. energy: -1.025
local terms energy: -77.044163
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -200.010524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.010524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.010524 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.652
local terms energy: -76.146903
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -205.255603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.255603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.255603 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.598
local terms energy: -73.556080
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -11.660
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: 4, replica: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -200.288469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.288469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.288469 (E_RNA)
where:
Base-Base interactions energy: -134.725
where: short stacking energy: -64.356
Base-Backbone interact. energy: 0.491
local terms energy: -66.055051
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -16.522
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -185.127244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.127244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.127244 (E_RNA)
where:
Base-Base interactions energy: -126.752
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.654
local terms energy: -57.720883
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -178.147120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.147120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.147120 (E_RNA)
where:
Base-Base interactions energy: -113.474
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.048
local terms energy: -64.624673
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.623
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -172.337970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.337970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.337970 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.084
local terms energy: -62.979420
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -6.968
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -7.329
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -160.062439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.062439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.062439 (E_RNA)
where:
Base-Base interactions energy: -109.173
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.952
local terms energy: -49.937111
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -161.534310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.534310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.534310 (E_RNA)
where:
Base-Base interactions energy: -108.752
where: short stacking energy: -51.321
Base-Backbone interact. energy: -0.138
local terms energy: -52.643862
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -8.919
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -10.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -167.719069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.719069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.719069 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.002
local terms energy: -65.540398
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.868
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: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -235.490594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.490594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.490594 (E_RNA)
where:
Base-Base interactions energy: -160.279
where: short stacking energy: -66.779
Base-Backbone interact. energy: 0.449
local terms energy: -75.660406
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -205.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.978506 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.142
local terms energy: -69.381098
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -199.731541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.731541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.731541 (E_RNA)
where:
Base-Base interactions energy: -129.467
where: short stacking energy: -73.515
Base-Backbone interact. energy: -0.015
local terms energy: -70.249121
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -197.666529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.666529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.666529 (E_RNA)
where:
Base-Base interactions energy: -129.681
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.022
local terms energy: -67.963245
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -15.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -180.210093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.210093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.210093 (E_RNA)
where:
Base-Base interactions energy: -124.203
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.534
local terms energy: -55.472556
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -6.467
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -179.194139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.194139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.194139 (E_RNA)
where:
Base-Base interactions energy: -109.993
where: short stacking energy: -58.499
Base-Backbone interact. energy: -0.824
local terms energy: -68.377728
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -170.098100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.098100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.098100 (E_RNA)
where:
Base-Base interactions energy: -109.186
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.035
local terms energy: -60.876640
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -165.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.301878 (E_RNA)
where:
Base-Base interactions energy: -105.145
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.023
local terms energy: -60.132980
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -166.306323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.306323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.306323 (E_RNA)
where:
Base-Base interactions energy: -109.598
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.050
local terms energy: -56.658643
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -168.538537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.538537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.538537 (E_RNA)
where:
Base-Base interactions energy: -104.970
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.263
local terms energy: -63.305331
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -7.891
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: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -227.871477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.871477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.871477 (E_RNA)
where:
Base-Base interactions energy: -156.977
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.691
local terms energy: -70.202953
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -14.190
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -204.693226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.693226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.693226 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -70.698
Base-Backbone interact. energy: 0.186
local terms energy: -68.991937
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -198.389110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.389110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.389110 (E_RNA)
where:
Base-Base interactions energy: -126.761
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.060
local terms energy: -71.568097
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -193.627685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.627685 (E_RNA)
where:
Base-Base interactions energy: -119.848
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.001
local terms energy: -73.778808
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -184.275327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.275327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.275327 (E_RNA)
where:
Base-Base interactions energy: -117.036
where: short stacking energy: -63.742
Base-Backbone interact. energy: -0.001
local terms energy: -67.238046
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -180.671326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.671326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.671326 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.023
local terms energy: -63.770165
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.527
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: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -173.228802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.228802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.228802 (E_RNA)
where:
Base-Base interactions energy: -111.782
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.150
local terms energy: -61.296467
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -176.057506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.057506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.057506 (E_RNA)
where:
Base-Base interactions energy: -107.193
where: short stacking energy: -56.547
Base-Backbone interact. energy: -0.024
local terms energy: -68.840108
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -165.620346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.620346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.620346 (E_RNA)
where:
Base-Base interactions energy: -100.204
where: short stacking energy: -46.257
Base-Backbone interact. energy: -0.148
local terms energy: -65.268542
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -158.704507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.704507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.704507 (E_RNA)
where:
Base-Base interactions energy: -108.069
where: short stacking energy: -55.881
Base-Backbone interact. energy: 1.089
local terms energy: -51.724074
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.901085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.901085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.901085 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.170
local terms energy: -78.269477
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -18.455
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -213.813958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.813958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.813958 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -77.094
Base-Backbone interact. energy: 0.708
local terms energy: -76.108823
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -201.892355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.892355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.892355 (E_RNA)
where:
Base-Base interactions energy: -129.898
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.080
local terms energy: -71.913681
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -187.621009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.621009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.621009 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.730
local terms energy: -66.438501
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.044
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: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -185.257702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.257702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.257702 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.038
local terms energy: -69.628951
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -176.523685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.523685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.523685 (E_RNA)
where:
Base-Base interactions energy: -116.361
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.004
local terms energy: -60.158206
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -176.914262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.914262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.914262 (E_RNA)
where:
Base-Base interactions energy: -116.010
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.063
local terms energy: -60.841536
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -12.871
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: 269
Temperature: 1.250000
Total energy: -176.228250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.228250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228250 (E_RNA)
where:
Base-Base interactions energy: -110.659
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.001
local terms energy: -65.568932
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -162.075625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.075625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.075625 (E_RNA)
where:
Base-Base interactions energy: -105.596
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.071
local terms energy: -56.408138
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -159.332705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.332705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.332705 (E_RNA)
where:
Base-Base interactions energy: -106.861
where: short stacking energy: -44.001
Base-Backbone interact. energy: 1.056
local terms energy: -53.527329
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -6.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -238.234961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.234961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.234961 (E_RNA)
where:
Base-Base interactions energy: -160.964
where: short stacking energy: -70.797
Base-Backbone interact. energy: -0.210
local terms energy: -77.060854
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -18.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -222.171439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.171439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.171439 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.392
local terms energy: -71.472758
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -202.031179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.031179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.031179 (E_RNA)
where:
Base-Base interactions energy: -129.490
where: short stacking energy: -69.034
Base-Backbone interact. energy: -0.002
local terms energy: -72.538810
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -187.298918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.298918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.298918 (E_RNA)
where:
Base-Base interactions energy: -118.804
where: short stacking energy: -52.487
Base-Backbone interact. energy: 0.036
local terms energy: -68.530579
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -12.448
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: 270
Temperature: 1.100000
Total energy: -189.205841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.205841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.205841 (E_RNA)
where:
Base-Base interactions energy: -133.872
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.190
local terms energy: -55.143540
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -11.072
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: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -193.175644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.175644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.175644 (E_RNA)
where:
Base-Base interactions energy: -136.729
where: short stacking energy: -56.775
Base-Backbone interact. energy: -1.004
local terms energy: -55.443455
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -8.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -182.346522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.346522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.346522 (E_RNA)
where:
Base-Base interactions energy: -118.599
where: short stacking energy: -55.528
Base-Backbone interact. energy: -0.591
local terms energy: -63.156414
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -8.884
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: 8, replica: 8
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -184.863969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.863969 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.334
local terms energy: -64.045379
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -153.190690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.190690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.190690 (E_RNA)
where:
Base-Base interactions energy: -97.933
where: short stacking energy: -49.310
Base-Backbone interact. energy: -0.163
local terms energy: -55.094032
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -9.504
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.052
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: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -153.630903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.630903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.630903 (E_RNA)
where:
Base-Base interactions energy: -96.728
where: short stacking energy: -38.461
Base-Backbone interact. energy: -0.511
local terms energy: -56.392501
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -241.184614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.184614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.184614 (E_RNA)
where:
Base-Base interactions energy: -168.924
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.312
local terms energy: -71.948564
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -217.129030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.129030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.129030 (E_RNA)
where:
Base-Base interactions energy: -141.786
where: short stacking energy: -79.367
Base-Backbone interact. energy: 1.539
local terms energy: -76.882163
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -19.781
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -226.152058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.152058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.152058 (E_RNA)
where:
Base-Base interactions energy: -151.328
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.604
local terms energy: -74.220402
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -203.796810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796810 (E_RNA)
where:
Base-Base interactions energy: -132.589
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.022
local terms energy: -71.186413
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -18.627
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: 271
Temperature: 1.100000
Total energy: -184.626482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626482 (E_RNA)
where:
Base-Base interactions energy: -109.092
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.071
local terms energy: -75.463209
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -17.812
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: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -177.741575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.741575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.741575 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.213
local terms energy: -66.130201
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -11.348
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -189.782069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782069 (E_RNA)
where:
Base-Base interactions energy: -123.966
where: short stacking energy: -68.975
Base-Backbone interact. energy: -0.131
local terms energy: -65.684806
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -169.262074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.262074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.262074 (E_RNA)
where:
Base-Base interactions energy: -112.972
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.119
local terms energy: -56.170426
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -157.189581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.189581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.189581 (E_RNA)
where:
Base-Base interactions energy: -98.506
where: short stacking energy: -42.329
Base-Backbone interact. energy: -0.609
local terms energy: -58.074501
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -152.140246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.140246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.140246 (E_RNA)
where:
Base-Base interactions energy: -103.650
where: short stacking energy: -41.615
Base-Backbone interact. energy: 0.273
local terms energy: -48.763269
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -237.911324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.911324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.911324 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.147
local terms energy: -74.583687
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -218.740245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.740245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.740245 (E_RNA)
where:
Base-Base interactions energy: -138.789
where: short stacking energy: -74.849
Base-Backbone interact. energy: -0.007
local terms energy: -79.944720
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.033
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -201.075318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075318 (E_RNA)
where:
Base-Base interactions energy: -132.541
where: short stacking energy: -57.822
Base-Backbone interact. energy: -0.057
local terms energy: -68.476916
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -189.042042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.042042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.042042 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.152
local terms energy: -63.429592
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -209.346614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.346614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.346614 (E_RNA)
where:
Base-Base interactions energy: -148.013
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.240
local terms energy: -61.093549
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -193.421334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.421334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.421334 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.002
local terms energy: -68.327220
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -190.149638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.149638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.149638 (E_RNA)
where:
Base-Base interactions energy: -126.849
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.042
local terms energy: -63.257850
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -151.889384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.889384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.889384 (E_RNA)
where:
Base-Base interactions energy: -105.913
where: short stacking energy: -45.791
Base-Backbone interact. energy: 2.516
local terms energy: -48.491729
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -171.173486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.173486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.173486 (E_RNA)
where:
Base-Base interactions energy: -108.768
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.213
local terms energy: -62.192409
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.701
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: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -156.837379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.837379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.837379 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -48.515
Base-Backbone interact. energy: -0.122
local terms energy: -50.634181
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -8.937
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -235.579743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.579743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.579743 (E_RNA)
where:
Base-Base interactions energy: -158.400
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.378
local terms energy: -76.802049
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -206.783286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.783286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.783286 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -61.245
Base-Backbone interact. energy: -0.353
local terms energy: -75.358291
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -198.338179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.338179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.338179 (E_RNA)
where:
Base-Base interactions energy: -130.288
where: short stacking energy: -70.028
Base-Backbone interact. energy: -0.336
local terms energy: -67.714294
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -13.722
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: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -224.373372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.373372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.373372 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -70.414
Base-Backbone interact. energy: -0.297
local terms energy: -68.567737
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -178.892268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.892268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.892268 (E_RNA)
where:
Base-Base interactions energy: -120.997
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.105
local terms energy: -57.790273
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -177.183150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.183150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.183150 (E_RNA)
where:
Base-Base interactions energy: -117.711
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.011
local terms energy: -59.461071
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -2.670
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -166.496627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.496627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.496627 (E_RNA)
where:
Base-Base interactions energy: -105.014
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.178
local terms energy: -61.304626
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -9.252
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: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -172.046983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.046983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.046983 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.015
local terms energy: -60.633379
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -3.032
tors. eta vs tors. theta energy: -15.383
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: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -148.280208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.280208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.280208 (E_RNA)
where:
Base-Base interactions energy: -96.076
where: short stacking energy: -48.503
Base-Backbone interact. energy: -0.208
local terms energy: -51.995560
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -152.561031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.561031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.561031 (E_RNA)
where:
Base-Base interactions energy: -98.400
where: short stacking energy: -46.824
Base-Backbone interact. energy: 2.083
local terms energy: -56.243439
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -235.886679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.886679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.886679 (E_RNA)
where:
Base-Base interactions energy: -160.678
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.593
local terms energy: -74.615179
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -18.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -199.077543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.077543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.077543 (E_RNA)
where:
Base-Base interactions energy: -128.436
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.672
local terms energy: -69.969261
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -225.877180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877180 (E_RNA)
where:
Base-Base interactions energy: -155.047
where: short stacking energy: -74.680
Base-Backbone interact. energy: -0.523
local terms energy: -70.307286
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -19.667
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: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -198.930933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.930933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.930933 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -67.515
Base-Backbone interact. energy: -0.025
local terms energy: -61.173816
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -180.969461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.969461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.969461 (E_RNA)
where:
Base-Base interactions energy: -114.305
where: short stacking energy: -51.781
Base-Backbone interact. energy: -0.471
local terms energy: -66.194181
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -186.511630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.511630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.511630 (E_RNA)
where:
Base-Base interactions energy: -121.040
where: short stacking energy: -60.493
Base-Backbone interact. energy: -0.064
local terms energy: -65.407701
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -166.642423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.642423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.642423 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.545
local terms energy: -57.844839
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.319
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -163.220228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.220228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.220228 (E_RNA)
where:
Base-Base interactions energy: -106.766
where: short stacking energy: -48.316
Base-Backbone interact. energy: -0.065
local terms energy: -56.389473
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -9.744
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -135.821032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.821032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.821032 (E_RNA)
where:
Base-Base interactions energy: -82.689
where: short stacking energy: -42.773
Base-Backbone interact. energy: -0.187
local terms energy: -52.945137
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -6.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -140.375559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.375559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.375559 (E_RNA)
where:
Base-Base interactions energy: -93.239
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.127
local terms energy: -47.009353
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -7.569
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -243.550805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.550805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.550805 (E_RNA)
where:
Base-Base interactions energy: -170.589
where: short stacking energy: -76.819
Base-Backbone interact. energy: -0.705
local terms energy: -72.256997
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -223.163289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.163289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163289 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -68.835
Base-Backbone interact. energy: -1.151
local terms energy: -73.702189
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -197.149072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.149072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.149072 (E_RNA)
where:
Base-Base interactions energy: -124.110
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.015
local terms energy: -73.023773
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -188.470836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.470836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.470836 (E_RNA)
where:
Base-Base interactions energy: -115.666
where: short stacking energy: -65.307
Base-Backbone interact. energy: -0.056
local terms energy: -72.748989
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -189.308915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.308915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.308915 (E_RNA)
where:
Base-Base interactions energy: -125.353
where: short stacking energy: -61.879
Base-Backbone interact. energy: 1.049
local terms energy: -65.004877
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -12.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -181.307938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.307938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.307938 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.246
local terms energy: -63.025931
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -177.157613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.157613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.157613 (E_RNA)
where:
Base-Base interactions energy: -107.615
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.635
local terms energy: -68.907307
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.547
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: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -167.628053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.628053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.628053 (E_RNA)
where:
Base-Base interactions energy: -105.998
where: short stacking energy: -49.846
Base-Backbone interact. energy: 1.390
local terms energy: -63.020619
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -9.760
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: 9, replica: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -173.336367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336367 (E_RNA)
where:
Base-Base interactions energy: -117.341
where: short stacking energy: -55.457
Base-Backbone interact. energy: 0.784
local terms energy: -56.778501
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -8.441
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -163.096122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.096122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.096122 (E_RNA)
where:
Base-Base interactions energy: -104.452
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.388
local terms energy: -58.255249
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -236.301949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.301949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.301949 (E_RNA)
where:
Base-Base interactions energy: -162.203
where: short stacking energy: -76.000
Base-Backbone interact. energy: -0.340
local terms energy: -73.759332
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -14.994
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: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -225.633981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.633981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.633981 (E_RNA)
where:
Base-Base interactions energy: -154.656
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.412
local terms energy: -70.565827
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -202.681979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.681979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.681979 (E_RNA)
where:
Base-Base interactions energy: -131.070
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.534
local terms energy: -71.078007
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -202.057647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.057647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.057647 (E_RNA)
where:
Base-Base interactions energy: -127.516
where: short stacking energy: -65.400
Base-Backbone interact. energy: -0.043
local terms energy: -74.499193
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -184.882999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.882999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.882999 (E_RNA)
where:
Base-Base interactions energy: -125.590
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.125
local terms energy: -59.167392
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -13.346
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: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -180.341377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.341377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.341377 (E_RNA)
where:
Base-Base interactions energy: -118.541
where: short stacking energy: -50.249
Base-Backbone interact. energy: -0.046
local terms energy: -61.754242
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -11.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -179.634779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.634779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.634779 (E_RNA)
where:
Base-Base interactions energy: -118.761
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.507
local terms energy: -60.366977
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -166.898208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.898208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.898208 (E_RNA)
where:
Base-Base interactions energy: -102.296
where: short stacking energy: -46.276
Base-Backbone interact. energy: -0.016
local terms energy: -64.585702
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -14.996
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: 5
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -163.125776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.125776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.125776 (E_RNA)
where:
Base-Base interactions energy: -101.700
where: short stacking energy: -47.088
Base-Backbone interact. energy: 1.261
local terms energy: -62.686734
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -9.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -143.666043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.666043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.666043 (E_RNA)
where:
Base-Base interactions energy: -90.952
where: short stacking energy: -40.244
Base-Backbone interact. energy: -0.068
local terms energy: -52.645876
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -240.450453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.450453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.450453 (E_RNA)
where:
Base-Base interactions energy: -164.989
where: short stacking energy: -80.059
Base-Backbone interact. energy: -0.225
local terms energy: -75.237052
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -234.672186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.672186 (E_RNA)
where:
Base-Base interactions energy: -162.827
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.706
local terms energy: -71.139455
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -17.422
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: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -206.209167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.209167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.209167 (E_RNA)
where:
Base-Base interactions energy: -145.544
where: short stacking energy: -61.730
Base-Backbone interact. energy: -0.809
local terms energy: -59.856604
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -190.223105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223105 (E_RNA)
where:
Base-Base interactions energy: -126.159
where: short stacking energy: -55.734
Base-Backbone interact. energy: -0.209
local terms energy: -63.855467
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -10.542
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: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -172.773886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773886 (E_RNA)
where:
Base-Base interactions energy: -111.624
where: short stacking energy: -52.592
Base-Backbone interact. energy: -0.621
local terms energy: -60.528304
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -177.529321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.529321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.529321 (E_RNA)
where:
Base-Base interactions energy: -118.162
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.646
local terms energy: -58.721815
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -151.348251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.348251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.348251 (E_RNA)
where:
Base-Base interactions energy: -92.211
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.130
local terms energy: -59.007382
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -3.760
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -174.723410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.723410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.723410 (E_RNA)
where:
Base-Base interactions energy: -121.587
where: short stacking energy: -60.088
Base-Backbone interact. energy: 0.899
local terms energy: -54.035853
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -152.951432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.951432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.951432 (E_RNA)
where:
Base-Base interactions energy: -102.560
where: short stacking energy: -47.217
Base-Backbone interact. energy: 0.468
local terms energy: -50.860233
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -7.741
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: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -142.182383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.182383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.182383 (E_RNA)
where:
Base-Base interactions energy: -74.944
where: short stacking energy: -38.515
Base-Backbone interact. energy: -0.436
local terms energy: -66.802991
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -238.817266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.817266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.817266 (E_RNA)
where:
Base-Base interactions energy: -157.512
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.532
local terms energy: -80.773303
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -232.334161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.334161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.334161 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -73.830
Base-Backbone interact. energy: 1.588
local terms energy: -81.140492
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -12.846
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: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -189.633827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.633827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.633827 (E_RNA)
where:
Base-Base interactions energy: -117.831
where: short stacking energy: -63.445
Base-Backbone interact. energy: -0.169
local terms energy: -71.633418
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -9.617
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: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -182.469619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.469619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.469619 (E_RNA)
where:
Base-Base interactions energy: -121.090
where: short stacking energy: -52.637
Base-Backbone interact. energy: -0.378
local terms energy: -61.001062
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -10.583
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -181.379925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.379925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.379925 (E_RNA)
where:
Base-Base interactions energy: -120.642
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.879
local terms energy: -59.859247
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -174.186286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.186286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.186286 (E_RNA)
where:
Base-Base interactions energy: -106.513
where: short stacking energy: -52.705
Base-Backbone interact. energy: -0.405
local terms energy: -67.268606
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -12.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -165.921846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.921846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.921846 (E_RNA)
where:
Base-Base interactions energy: -114.031
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.256
local terms energy: -51.634757
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -169.066314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.066314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.066314 (E_RNA)
where:
Base-Base interactions energy: -112.761
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.191
local terms energy: -56.113695
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -163.940878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.940878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.940878 (E_RNA)
where:
Base-Base interactions energy: -108.503
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.134
local terms energy: -55.303532
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -160.827893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.827893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.827893 (E_RNA)
where:
Base-Base interactions energy: -107.777
where: short stacking energy: -48.424
Base-Backbone interact. energy: -0.213
local terms energy: -52.837752
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -239.137133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.137133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.137133 (E_RNA)
where:
Base-Base interactions energy: -165.006
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.412
local terms energy: -73.719811
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -235.462713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.462713 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -77.626
Base-Backbone interact. energy: -0.636
local terms energy: -75.645593
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -8.657
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: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -197.458815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.458815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.458815 (E_RNA)
where:
Base-Base interactions energy: -133.359
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.302
local terms energy: -63.797692
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -187.392365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392365 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -52.385
Base-Backbone interact. energy: -0.705
local terms energy: -61.748933
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -7.518
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -188.659554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.659554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.659554 (E_RNA)
where:
Base-Base interactions energy: -124.379
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.453
local terms energy: -63.827135
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -164.186000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.186000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.186000 (E_RNA)
where:
Base-Base interactions energy: -99.160
where: short stacking energy: -50.182
Base-Backbone interact. energy: -0.788
local terms energy: -64.237675
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -175.304126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304126 (E_RNA)
where:
Base-Base interactions energy: -111.689
where: short stacking energy: -52.014
Base-Backbone interact. energy: -0.004
local terms energy: -63.611242
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -185.823978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.823978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.823978 (E_RNA)
where:
Base-Base interactions energy: -119.312
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.166
local terms energy: -66.346229
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -10.670
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: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -164.890132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.890132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.890132 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -49.306
Base-Backbone interact. energy: -0.132
local terms energy: -50.096297
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -8.071
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -155.978439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.978439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.978439 (E_RNA)
where:
Base-Base interactions energy: -102.832
where: short stacking energy: -53.807
Base-Backbone interact. energy: -0.143
local terms energy: -53.002903
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -1.062
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -234.998531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.998531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.998531 (E_RNA)
where:
Base-Base interactions energy: -155.880
where: short stacking energy: -70.467
Base-Backbone interact. energy: -0.368
local terms energy: -78.750334
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -14.728
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: 2, replica: 10
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -229.986307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.986307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.986307 (E_RNA)
where:
Base-Base interactions energy: -159.382
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.351
local terms energy: -70.253299
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -17.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -203.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.436447 (E_RNA)
where:
Base-Base interactions energy: -131.460
where: short stacking energy: -68.831
Base-Backbone interact. energy: 0.281
local terms energy: -72.257312
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -15.878
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: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -181.765592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.765592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.765592 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.634
local terms energy: -63.947518
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -190.097081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.097081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.097081 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -59.144
Base-Backbone interact. energy: 3.538
local terms energy: -66.946423
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.377
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: 280
Temperature: 1.150000
Total energy: -181.297563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.297563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.297563 (E_RNA)
where:
Base-Base interactions energy: -114.891
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.036
local terms energy: -66.371050
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -180.301456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.301456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.301456 (E_RNA)
where:
Base-Base interactions energy: -119.073
where: short stacking energy: -66.160
Base-Backbone interact. energy: -0.067
local terms energy: -61.161181
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -174.516190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.516190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.516190 (E_RNA)
where:
Base-Base interactions energy: -111.327
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.007
local terms energy: -63.182326
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -148.180906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.180906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.180906 (E_RNA)
where:
Base-Base interactions energy: -92.748
where: short stacking energy: -50.060
Base-Backbone interact. energy: 3.417
local terms energy: -58.850111
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -82.594989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.594989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.594989 (E_RNA)
where:
Base-Base interactions energy: -33.811
where: short stacking energy: -24.298
Base-Backbone interact. energy: -0.106
local terms energy: -48.678166
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -246.043001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.043001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.043001 (E_RNA)
where:
Base-Base interactions energy: -172.757
where: short stacking energy: -61.318
Base-Backbone interact. energy: -1.440
local terms energy: -71.845921
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -236.608158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.608158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.608158 (E_RNA)
where:
Base-Base interactions energy: -163.359
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.501
local terms energy: -72.748309
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -200.911344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.911344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.911344 (E_RNA)
where:
Base-Base interactions energy: -127.123
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.021
local terms energy: -73.767164
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -194.289958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.289958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.289958 (E_RNA)
where:
Base-Base interactions energy: -127.265
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.355
local terms energy: -66.670222
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -176.043252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043252 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -59.738
Base-Backbone interact. energy: 0.452
local terms energy: -60.903575
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -8.763
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: 281
Temperature: 1.150000
Total energy: -184.426017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.426017 (E_RNA)
where:
Base-Base interactions energy: -119.298
where: short stacking energy: -62.489
Base-Backbone interact. energy: -0.004
local terms energy: -65.124201
where:
bonds (distance) C4'-P energy: -6.972
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -13.125
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: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -178.807895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.807895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.807895 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.001
local terms energy: -65.093269
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -12.810
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: 8
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -162.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.667298 (E_RNA)
where:
Base-Base interactions energy: -99.058
where: short stacking energy: -41.708
Base-Backbone interact. energy: -0.716
local terms energy: -62.892371
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -161.197469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.197469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.197469 (E_RNA)
where:
Base-Base interactions energy: -105.088
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.041
local terms energy: -56.068674
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -81.013908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.013908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.013908 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -37.732
Base-Backbone interact. energy: -0.307
local terms energy: -42.975620
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -238.481606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.481606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481606 (E_RNA)
where:
Base-Base interactions energy: -169.490
where: short stacking energy: -71.367
Base-Backbone interact. energy: -0.318
local terms energy: -68.673260
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -238.271784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.271784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.271784 (E_RNA)
where:
Base-Base interactions energy: -166.874
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.593
local terms energy: -70.804237
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -18.015
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -191.098148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.098148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.098148 (E_RNA)
where:
Base-Base interactions energy: -123.479
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.215
local terms energy: -67.404613
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -12.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -200.458848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.458848 (E_RNA)
where:
Base-Base interactions energy: -135.202
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.600
local terms energy: -64.656940
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -16.118
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -181.182424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.182424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.182424 (E_RNA)
where:
Base-Base interactions energy: -114.647
where: short stacking energy: -60.827
Base-Backbone interact. energy: 0.798
local terms energy: -67.333282
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.132
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -181.064551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.064551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.064551 (E_RNA)
where:
Base-Base interactions energy: -109.135
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.269
local terms energy: -71.660425
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -16.393
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: 8
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -185.327185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.327185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.327185 (E_RNA)
where:
Base-Base interactions energy: -118.985
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.117
local terms energy: -66.225161
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -15.944
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: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -176.883368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.883368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.883368 (E_RNA)
where:
Base-Base interactions energy: -111.863
where: short stacking energy: -58.920
Base-Backbone interact. energy: -0.282
local terms energy: -64.738790
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -4.742
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -160.884952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.884952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.884952 (E_RNA)
where:
Base-Base interactions energy: -102.867
where: short stacking energy: -51.167
Base-Backbone interact. energy: -0.365
local terms energy: -57.652639
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -9.616
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: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -82.164296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.164296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.164296 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -28.367
Base-Backbone interact. energy: -0.207
local terms energy: -48.620332
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -243.448355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.448355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.448355 (E_RNA)
where:
Base-Base interactions energy: -171.656
where: short stacking energy: -67.025
Base-Backbone interact. energy: -0.783
local terms energy: -71.009763
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -211.491672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.491672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.491672 (E_RNA)
where:
Base-Base interactions energy: -141.483
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.242
local terms energy: -69.766723
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -220.430589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430589 (E_RNA)
where:
Base-Base interactions energy: -150.590
where: short stacking energy: -65.793
Base-Backbone interact. energy: -1.781
local terms energy: -68.059551
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -194.364008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.364008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.364008 (E_RNA)
where:
Base-Base interactions energy: -122.316
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.291
local terms energy: -71.757735
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -182.803192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.803192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.803192 (E_RNA)
where:
Base-Base interactions energy: -122.589
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.045
local terms energy: -60.169696
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -174.047101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.047101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.047101 (E_RNA)
where:
Base-Base interactions energy: -105.033
where: short stacking energy: -50.893
Base-Backbone interact. energy: -0.314
local terms energy: -68.700255
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.927
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: 7, replica: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -166.081283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.081283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.081283 (E_RNA)
where:
Base-Base interactions energy: -106.370
where: short stacking energy: -53.656
Base-Backbone interact. energy: -0.092
local terms energy: -59.619189
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -10.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -176.766831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.766831 (E_RNA)
where:
Base-Base interactions energy: -114.190
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.094
local terms energy: -62.483382
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -11.207
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: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -161.477409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.477409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.477409 (E_RNA)
where:
Base-Base interactions energy: -102.999
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.300
local terms energy: -58.178150
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -85.959251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959251 (E_RNA)
where:
Base-Base interactions energy: -26.503
where: short stacking energy: -26.503
Base-Backbone interact. energy: -0.123
local terms energy: -59.333766
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -243.926073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.926073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.926073 (E_RNA)
where:
Base-Base interactions energy: -166.449
where: short stacking energy: -75.557
Base-Backbone interact. energy: -1.333
local terms energy: -76.144003
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -18.146
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: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -217.301954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.301954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.301954 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -68.736
Base-Backbone interact. energy: 1.818
local terms energy: -72.633309
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -230.903320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.903320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.903320 (E_RNA)
where:
Base-Base interactions energy: -164.459
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.233
local terms energy: -66.210868
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -191.664417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.664417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.664417 (E_RNA)
where:
Base-Base interactions energy: -120.479
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.004
local terms energy: -71.181049
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -6.858
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: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -196.984541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.984541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.984541 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.053
local terms energy: -67.854453
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -175.210117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.210117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.210117 (E_RNA)
where:
Base-Base interactions energy: -124.795
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.111
local terms energy: -50.304330
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -176.244377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.244377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.244377 (E_RNA)
where:
Base-Base interactions energy: -110.835
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.367
local terms energy: -65.042400
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -171.049600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.049600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.049600 (E_RNA)
where:
Base-Base interactions energy: -102.513
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.083
local terms energy: -68.453742
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -169.510384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.510384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.510384 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.051
local terms energy: -55.184001
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -11.507
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: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -85.202438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202438 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.161
local terms energy: -52.284967
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -239.923559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.923559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.923559 (E_RNA)
where:
Base-Base interactions energy: -169.429
where: short stacking energy: -74.316
Base-Backbone interact. energy: -0.188
local terms energy: -70.306250
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -236.078442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.078442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.078442 (E_RNA)
where:
Base-Base interactions energy: -166.839
where: short stacking energy: -63.355
Base-Backbone interact. energy: -0.482
local terms energy: -68.757695
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -13.083
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: 285
Temperature: 1.000000
Total energy: -212.712911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.712911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.712911 (E_RNA)
where:
Base-Base interactions energy: -139.905
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.637
local terms energy: -72.170849
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -179.367201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.367201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.367201 (E_RNA)
where:
Base-Base interactions energy: -112.818
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.387
local terms energy: -66.161917
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -179.147600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147600 (E_RNA)
where:
Base-Base interactions energy: -111.297
where: short stacking energy: -45.385
Base-Backbone interact. energy: -0.834
local terms energy: -67.016053
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -12.314
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: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -178.511097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.511097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.511097 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.191
local terms energy: -59.544181
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -10.182
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: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -174.209054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.209054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.209054 (E_RNA)
where:
Base-Base interactions energy: -110.389
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.366
local terms energy: -63.454383
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -12.126
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: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -162.421466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.421466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.421466 (E_RNA)
where:
Base-Base interactions energy: -105.706
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.454
local terms energy: -56.261331
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -6.971
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: 285
Temperature: 1.300000
Total energy: -161.819220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819220 (E_RNA)
where:
Base-Base interactions energy: -99.825
where: short stacking energy: -49.326
Base-Backbone interact. energy: -1.410
local terms energy: -60.584333
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -11.429
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: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -90.218166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.218166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.218166 (E_RNA)
where:
Base-Base interactions energy: -37.772
where: short stacking energy: -34.094
Base-Backbone interact. energy: -0.587
local terms energy: -51.859515
where:
bonds (distance) C4'-P energy: -5.298
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -234.952481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.952481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.952481 (E_RNA)
where:
Base-Base interactions energy: -156.986
where: short stacking energy: -75.249
Base-Backbone interact. energy: -0.098
local terms energy: -77.868493
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -13.864
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: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -233.135492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.135492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.135492 (E_RNA)
where:
Base-Base interactions energy: -159.774
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.378
local terms energy: -72.983661
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -11.523
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: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -200.649233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.649233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.649233 (E_RNA)
where:
Base-Base interactions energy: -131.372
where: short stacking energy: -64.244
Base-Backbone interact. energy: 0.292
local terms energy: -69.569606
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.240
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: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -188.143645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.143645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.143645 (E_RNA)
where:
Base-Base interactions energy: -114.722
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.102
local terms energy: -73.319068
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -184.458911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.458911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.458911 (E_RNA)
where:
Base-Base interactions energy: -120.896
where: short stacking energy: -69.340
Base-Backbone interact. energy: -0.003
local terms energy: -63.559778
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -178.360487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360487 (E_RNA)
where:
Base-Base interactions energy: -117.748
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.099
local terms energy: -60.513392
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -178.284841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.284841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.284841 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -61.103
Base-Backbone interact. energy: -0.051
local terms energy: -63.080639
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -178.458195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458195 (E_RNA)
where:
Base-Base interactions energy: -124.794
where: short stacking energy: -62.500
Base-Backbone interact. energy: -0.127
local terms energy: -53.537276
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -159.411988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.411988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.411988 (E_RNA)
where:
Base-Base interactions energy: -96.282
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.139
local terms energy: -62.990806
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -83.585832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585832 (E_RNA)
where:
Base-Base interactions energy: -32.609
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.215
local terms energy: -50.761105
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -237.168364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.168364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.168364 (E_RNA)
where:
Base-Base interactions energy: -163.287
where: short stacking energy: -81.991
Base-Backbone interact. energy: -0.526
local terms energy: -73.355768
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -19.029
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: 287
Temperature: 0.950000
Total energy: -210.866491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.866491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.866491 (E_RNA)
where:
Base-Base interactions energy: -135.178
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.401
local terms energy: -75.287798
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -18.722
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: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -209.699532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699532 (E_RNA)
where:
Base-Base interactions energy: -147.649
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.029
local terms energy: -62.021898
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -190.192407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.192407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.192407 (E_RNA)
where:
Base-Base interactions energy: -121.271
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.100
local terms energy: -68.820653
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -14.337
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: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -197.416789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.416789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.416789 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.215
local terms energy: -63.293912
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -184.666640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.666640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.666640 (E_RNA)
where:
Base-Base interactions energy: -119.212
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.359
local terms energy: -65.095113
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -179.823391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.823391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.823391 (E_RNA)
where:
Base-Base interactions energy: -118.483
where: short stacking energy: -54.307
Base-Backbone interact. energy: -0.162
local terms energy: -61.178320
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -167.995714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.995714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995714 (E_RNA)
where:
Base-Base interactions energy: -108.724
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.398
local terms energy: -58.874087
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -11.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -170.329613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.329613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.329613 (E_RNA)
where:
Base-Base interactions energy: -120.123
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.128
local terms energy: -50.078327
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -9.023
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -80.139185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.139185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.139185 (E_RNA)
where:
Base-Base interactions energy: -21.058
where: short stacking energy: -19.073
Base-Backbone interact. energy: -0.255
local terms energy: -58.826142
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -235.824192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.824192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.824192 (E_RNA)
where:
Base-Base interactions energy: -157.371
where: short stacking energy: -71.455
Base-Backbone interact. energy: -1.403
local terms energy: -77.050157
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -19.437
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: 288
Temperature: 0.950000
Total energy: -213.778960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.778960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.778960 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.321
local terms energy: -66.533641
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -13.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -194.560729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.560729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.560729 (E_RNA)
where:
Base-Base interactions energy: -126.049
where: short stacking energy: -62.760
Base-Backbone interact. energy: -0.218
local terms energy: -68.294087
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -13.505
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: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -190.434683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.434683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.434683 (E_RNA)
where:
Base-Base interactions energy: -123.341
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.627
local terms energy: -66.467662
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.555
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: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -186.900526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.900526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900526 (E_RNA)
where:
Base-Base interactions energy: -118.686
where: short stacking energy: -56.985
Base-Backbone interact. energy: -0.405
local terms energy: -67.809152
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -13.402
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -190.690059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.690059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.690059 (E_RNA)
where:
Base-Base interactions energy: -121.006
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.098
local terms energy: -69.585982
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -170.952972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.952972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.952972 (E_RNA)
where:
Base-Base interactions energy: -109.630
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.831
local terms energy: -60.492178
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -11.977
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: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -166.547097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.547097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.547097 (E_RNA)
where:
Base-Base interactions energy: -97.116
where: short stacking energy: -50.815
Base-Backbone interact. energy: -0.231
local terms energy: -69.199958
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -10.464
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: 288
Temperature: 1.300000
Total energy: -157.959791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.959791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.959791 (E_RNA)
where:
Base-Base interactions energy: -91.929
where: short stacking energy: -44.649
Base-Backbone interact. energy: -0.733
local terms energy: -65.297590
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -8.451
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: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -80.399824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.399824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.399824 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.372
local terms energy: -46.435282
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -240.187325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.187325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.187325 (E_RNA)
where:
Base-Base interactions energy: -167.843
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.689
local terms energy: -71.655150
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -201.544794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544794 (E_RNA)
where:
Base-Base interactions energy: -130.688
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.704
local terms energy: -70.152414
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -16.745
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: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -199.032991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.032991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.032991 (E_RNA)
where:
Base-Base interactions energy: -127.987
where: short stacking energy: -73.299
Base-Backbone interact. energy: -0.609
local terms energy: -70.436893
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -16.571
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: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -188.687659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.687659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.687659 (E_RNA)
where:
Base-Base interactions energy: -121.659
where: short stacking energy: -65.428
Base-Backbone interact. energy: -0.077
local terms energy: -66.951656
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -182.439880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.439880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.439880 (E_RNA)
where:
Base-Base interactions energy: -114.092
where: short stacking energy: -48.657
Base-Backbone interact. energy: -1.005
local terms energy: -67.342295
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -190.180358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.180358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.180358 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.310
local terms energy: -69.366746
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -176.887308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.887308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.887308 (E_RNA)
where:
Base-Base interactions energy: -106.910
where: short stacking energy: -48.456
Base-Backbone interact. energy: -0.099
local terms energy: -69.878870
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.644
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: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -178.204796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.204796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.204796 (E_RNA)
where:
Base-Base interactions energy: -116.447
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.052
local terms energy: -61.705467
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -6.094
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: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -162.960861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.960861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.960861 (E_RNA)
where:
Base-Base interactions energy: -106.356
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.141
local terms energy: -56.464219
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -7.840
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -81.675116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.675116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.675116 (E_RNA)
where:
Base-Base interactions energy: -34.575
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.650
local terms energy: -46.449929
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -209.071544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.071544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071544 (E_RNA)
where:
Base-Base interactions energy: -134.350
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.072
local terms energy: -74.649506
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -20.587
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: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -232.794045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.794045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.794045 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -73.050
Base-Backbone interact. energy: -0.369
local terms energy: -79.388465
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.036
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: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -195.437386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.437386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.437386 (E_RNA)
where:
Base-Base interactions energy: -122.384
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.055
local terms energy: -72.998329
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -13.748
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: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -189.322369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.322369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.322369 (E_RNA)
where:
Base-Base interactions energy: -117.555
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.115
local terms energy: -71.652685
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -190.296684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.296684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.296684 (E_RNA)
where:
Base-Base interactions energy: -122.101
where: short stacking energy: -64.664
Base-Backbone interact. energy: 0.493
local terms energy: -68.688338
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -10.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -176.539914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.539914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.539914 (E_RNA)
where:
Base-Base interactions energy: -110.610
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.019
local terms energy: -65.911488
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -10.948
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -177.228851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.228851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.228851 (E_RNA)
where:
Base-Base interactions energy: -109.808
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.002
local terms energy: -67.417983
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -167.783142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.783142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.783142 (E_RNA)
where:
Base-Base interactions energy: -109.277
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.019
local terms energy: -58.486734
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -7.290
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: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -157.522324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.522324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.522324 (E_RNA)
where:
Base-Base interactions energy: -105.644
where: short stacking energy: -49.333
Base-Backbone interact. energy: 0.010
local terms energy: -51.887958
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -79.906622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.906622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.906622 (E_RNA)
where:
Base-Base interactions energy: -34.151
where: short stacking energy: -24.914
Base-Backbone interact. energy: 0.186
local terms energy: -45.941580
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -212.273407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.273407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.273407 (E_RNA)
where:
Base-Base interactions energy: -131.756
where: short stacking energy: -72.875
Base-Backbone interact. energy: -0.009
local terms energy: -80.508043
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -198.283535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.283535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.283535 (E_RNA)
where:
Base-Base interactions energy: -124.675
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.122
local terms energy: -73.486630
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -221.899412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.899412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.899412 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.508
local terms energy: -65.549004
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -188.062399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.062399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.062399 (E_RNA)
where:
Base-Base interactions energy: -116.283
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.057
local terms energy: -71.722175
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -200.257144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.257144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.257144 (E_RNA)
where:
Base-Base interactions energy: -129.711
where: short stacking energy: -66.960
Base-Backbone interact. energy: -0.040
local terms energy: -70.506465
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -166.526685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.526685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.526685 (E_RNA)
where:
Base-Base interactions energy: -104.945
where: short stacking energy: -47.212
Base-Backbone interact. energy: 1.741
local terms energy: -63.322738
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -171.596703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.596703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.596703 (E_RNA)
where:
Base-Base interactions energy: -107.626
where: short stacking energy: -47.582
Base-Backbone interact. energy: -0.112
local terms energy: -63.858619
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -167.209432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.209432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.209432 (E_RNA)
where:
Base-Base interactions energy: -107.425
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.175
local terms energy: -59.609731
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -9.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -166.265178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.265178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.265178 (E_RNA)
where:
Base-Base interactions energy: -109.063
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.013
local terms energy: -57.189086
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -130.435056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.435056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.435056 (E_RNA)
where:
Base-Base interactions energy: -85.264
where: short stacking energy: -37.162
Base-Backbone interact. energy: -0.313
local terms energy: -44.858876
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -207.242699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.242699 (E_RNA)
where:
Base-Base interactions energy: -139.658
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.151
local terms energy: -67.433466
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -194.120938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120938 (E_RNA)
where:
Base-Base interactions energy: -129.204
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.005
local terms energy: -64.912596
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -194.806411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.806411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806411 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.058
local terms energy: -65.612477
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -9.066
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: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -221.064635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.064635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.064635 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.465
local terms energy: -68.979640
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -180.749441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.749441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.749441 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.214
local terms energy: -58.334742
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -184.904502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.904502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.904502 (E_RNA)
where:
Base-Base interactions energy: -118.432
where: short stacking energy: -63.737
Base-Backbone interact. energy: -0.333
local terms energy: -66.139409
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -18.824
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: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -164.903054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.903054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.903054 (E_RNA)
where:
Base-Base interactions energy: -106.620
where: short stacking energy: -46.663
Base-Backbone interact. energy: -0.224
local terms energy: -58.059219
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -160.211488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.211488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.211488 (E_RNA)
where:
Base-Base interactions energy: -100.784
where: short stacking energy: -49.523
Base-Backbone interact. energy: 0.308
local terms energy: -59.735367
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -9.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -144.652510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652510 (E_RNA)
where:
Base-Base interactions energy: -87.381
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.956
local terms energy: -56.315190
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -7.210
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: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -154.868372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.868372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.868372 (E_RNA)
where:
Base-Base interactions energy: -92.805
where: short stacking energy: -42.521
Base-Backbone interact. energy: 0.616
local terms energy: -62.679975
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -195.526066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.526066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.526066 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -68.714
Base-Backbone interact. energy: -0.883
local terms energy: -71.502742
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.382
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: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -204.676782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676782 (E_RNA)
where:
Base-Base interactions energy: -133.563
where: short stacking energy: -65.242
Base-Backbone interact. energy: -0.002
local terms energy: -71.111362
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -7.172
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: 3, replica: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -181.530848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.530848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.530848 (E_RNA)
where:
Base-Base interactions energy: -122.486
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.058
local terms energy: -58.986159
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -222.261209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.261209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.261209 (E_RNA)
where:
Base-Base interactions energy: -154.746
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.957
local terms energy: -66.558584
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -14.937
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: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -175.620814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.620814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.620814 (E_RNA)
where:
Base-Base interactions energy: -117.123
where: short stacking energy: -49.538
Base-Backbone interact. energy: -0.218
local terms energy: -58.279193
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -180.039837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.039837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.039837 (E_RNA)
where:
Base-Base interactions energy: -125.550
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.189
local terms energy: -54.300530
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -176.122472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.122472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122472 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.004
local terms energy: -59.731471
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -15.047
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: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -163.115004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.115004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.115004 (E_RNA)
where:
Base-Base interactions energy: -109.564
where: short stacking energy: -47.327
Base-Backbone interact. energy: 0.476
local terms energy: -54.026970
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -10.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -164.569628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.569628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.569628 (E_RNA)
where:
Base-Base interactions energy: -106.710
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.110
local terms energy: -57.749714
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -153.750516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.750516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.750516 (E_RNA)
where:
Base-Base interactions energy: -92.975
where: short stacking energy: -40.868
Base-Backbone interact. energy: -0.287
local terms energy: -60.488125
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -8.476
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: 1, replica: 6
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -208.116378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.116378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.116378 (E_RNA)
where:
Base-Base interactions energy: -132.851
where: short stacking energy: -71.871
Base-Backbone interact. energy: 0.353
local terms energy: -75.617755
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -8.310
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: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -204.285846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.285846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.285846 (E_RNA)
where:
Base-Base interactions energy: -129.100
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.100
local terms energy: -75.085681
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -227.641254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.641254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.641254 (E_RNA)
where:
Base-Base interactions energy: -156.724
where: short stacking energy: -74.242
Base-Backbone interact. energy: -0.436
local terms energy: -70.481661
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -183.107001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.107001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.107001 (E_RNA)
where:
Base-Base interactions energy: -117.204
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.381
local terms energy: -65.522848
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -13.054
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: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -187.914497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.914497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914497 (E_RNA)
where:
Base-Base interactions energy: -116.033
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.239
local terms energy: -71.642071
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -174.401786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.401786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.401786 (E_RNA)
where:
Base-Base interactions energy: -116.978
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.371
local terms energy: -57.052067
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -11.889
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: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -185.598690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.598690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.598690 (E_RNA)
where:
Base-Base interactions energy: -122.974
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.230
local terms energy: -62.394594
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -14.545
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: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -155.239412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.239412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.239412 (E_RNA)
where:
Base-Base interactions energy: -96.914
where: short stacking energy: -43.918
Base-Backbone interact. energy: -0.133
local terms energy: -58.191915
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -163.546193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.546193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.546193 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.445
local terms energy: -44.423478
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -8.223
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -140.552729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.552729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.552729 (E_RNA)
where:
Base-Base interactions energy: -88.167
where: short stacking energy: -30.125
Base-Backbone interact. energy: -0.344
local terms energy: -52.041119
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -215.619883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.619883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619883 (E_RNA)
where:
Base-Base interactions energy: -148.989
where: short stacking energy: -70.827
Base-Backbone interact. energy: -0.005
local terms energy: -66.626636
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -227.151513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.151513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.151513 (E_RNA)
where:
Base-Base interactions energy: -152.686
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.226
local terms energy: -74.238866
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -187.958076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.958076 (E_RNA)
where:
Base-Base interactions energy: -112.898
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.107
local terms energy: -74.953707
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -186.172701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.172701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.172701 (E_RNA)
where:
Base-Base interactions energy: -119.719
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.013
local terms energy: -66.441228
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -186.928687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.928687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.928687 (E_RNA)
where:
Base-Base interactions energy: -122.074
where: short stacking energy: -61.689
Base-Backbone interact. energy: -0.114
local terms energy: -64.740233
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -15.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -174.187423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187423 (E_RNA)
where:
Base-Base interactions energy: -113.167
where: short stacking energy: -48.146
Base-Backbone interact. energy: -0.015
local terms energy: -61.005486
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -12.810
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -175.516771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.516771 (E_RNA)
where:
Base-Base interactions energy: -117.595
where: short stacking energy: -58.021
Base-Backbone interact. energy: -0.163
local terms energy: -57.758273
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -165.255600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.255600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.255600 (E_RNA)
where:
Base-Base interactions energy: -101.013
where: short stacking energy: -52.177
Base-Backbone interact. energy: -0.107
local terms energy: -64.134929
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -9.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -141.191391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.191391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.191391 (E_RNA)
where:
Base-Base interactions energy: -88.757
where: short stacking energy: -40.868
Base-Backbone interact. energy: 1.055
local terms energy: -53.489545
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -151.629983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.629983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.629983 (E_RNA)
where:
Base-Base interactions energy: -107.181
where: short stacking energy: -48.688
Base-Backbone interact. energy: 0.417
local terms energy: -44.866336
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -9.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -237.149416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.149416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.149416 (E_RNA)
where:
Base-Base interactions energy: -164.774
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.395
local terms energy: -71.979742
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.665033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.665033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.665033 (E_RNA)
where:
Base-Base interactions energy: -147.991
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.733
local terms energy: -66.940134
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.585
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: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -200.733943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.733943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.733943 (E_RNA)
where:
Base-Base interactions energy: -131.818
where: short stacking energy: -67.836
Base-Backbone interact. energy: 0.385
local terms energy: -69.300839
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.739
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: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -195.432688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.432688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.432688 (E_RNA)
where:
Base-Base interactions energy: -128.982
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.001
local terms energy: -66.448799
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -16.106
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: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -185.623364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.623364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.623364 (E_RNA)
where:
Base-Base interactions energy: -115.686
where: short stacking energy: -57.393
Base-Backbone interact. energy: -0.333
local terms energy: -69.603994
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -13.073
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: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -180.831768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831768 (E_RNA)
where:
Base-Base interactions energy: -118.563
where: short stacking energy: -61.454
Base-Backbone interact. energy: 0.859
local terms energy: -63.127751
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -11.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -176.974992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.974992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.974992 (E_RNA)
where:
Base-Base interactions energy: -113.583
where: short stacking energy: -57.899
Base-Backbone interact. energy: -0.244
local terms energy: -63.148170
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -165.468480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.468480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.468480 (E_RNA)
where:
Base-Base interactions energy: -106.328
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.112
local terms energy: -59.028630
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -148.537644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.537644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.537644 (E_RNA)
where:
Base-Base interactions energy: -88.589
where: short stacking energy: -49.393
Base-Backbone interact. energy: -1.012
local terms energy: -58.936644
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -11.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -152.355116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.355116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.355116 (E_RNA)
where:
Base-Base interactions energy: -85.027
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.124
local terms energy: -67.203374
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -9.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -240.006689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006689 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.600
local terms energy: -70.203260
where:
bonds (distance) C4'-P energy: -7.126
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -199.453050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453050 (E_RNA)
where:
Base-Base interactions energy: -126.340
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.007
local terms energy: -73.105600
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -197.861937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.861937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.861937 (E_RNA)
where:
Base-Base interactions energy: -135.343
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.080
local terms energy: -62.438451
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -203.324060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.324060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.324060 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.075
local terms energy: -76.011686
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -184.925225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.925225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.925225 (E_RNA)
where:
Base-Base interactions energy: -122.708
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.060
local terms energy: -62.157408
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -195.414942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.414942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.414942 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.003
local terms energy: -72.490867
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -182.365489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.365489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.365489 (E_RNA)
where:
Base-Base interactions energy: -116.455
where: short stacking energy: -54.579
Base-Backbone interact. energy: -0.140
local terms energy: -65.771184
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -168.865755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.865755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.865755 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.138
local terms energy: -57.301673
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -169.110097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.110097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.110097 (E_RNA)
where:
Base-Base interactions energy: -104.993
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.001
local terms energy: -64.115799
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -144.479300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.479300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.479300 (E_RNA)
where:
Base-Base interactions energy: -92.208
where: short stacking energy: -49.310
Base-Backbone interact. energy: -0.102
local terms energy: -52.169836
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -238.333844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.333844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.333844 (E_RNA)
where:
Base-Base interactions energy: -163.218
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.253
local terms energy: -74.862757
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -191.543319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.543319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.543319 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.086
local terms energy: -76.532032
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -15.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -191.642505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.642505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.642505 (E_RNA)
where:
Base-Base interactions energy: -115.567
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.030
local terms energy: -76.046097
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -191.237300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.237300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.237300 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -59.683
Base-Backbone interact. energy: 0.787
local terms energy: -69.238917
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -15.049
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: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -181.424933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.424933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.424933 (E_RNA)
where:
Base-Base interactions energy: -120.322
where: short stacking energy: -49.659
Base-Backbone interact. energy: -0.715
local terms energy: -60.388402
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -7.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -177.828874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.828874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.828874 (E_RNA)
where:
Base-Base interactions energy: -111.110
where: short stacking energy: -49.872
Base-Backbone interact. energy: -1.027
local terms energy: -65.691869
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -180.022473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.022473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.022473 (E_RNA)
where:
Base-Base interactions energy: -116.468
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.676
local terms energy: -62.879050
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -13.416
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: 298
Temperature: 1.250000
Total energy: -161.445541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.445541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.445541 (E_RNA)
where:
Base-Base interactions energy: -106.228
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.216
local terms energy: -55.001583
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -168.076754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.076754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.076754 (E_RNA)
where:
Base-Base interactions energy: -113.612
where: short stacking energy: -51.341
Base-Backbone interact. energy: -0.020
local terms energy: -54.445250
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -132.612244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.612244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.612244 (E_RNA)
where:
Base-Base interactions energy: -86.572
where: short stacking energy: -35.222
Base-Backbone interact. energy: 1.992
local terms energy: -48.032617
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -11.465
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: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -242.452943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.452943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.452943 (E_RNA)
where:
Base-Base interactions energy: -165.910
where: short stacking energy: -77.047
Base-Backbone interact. energy: -0.512
local terms energy: -76.031170
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -18.395
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -203.194151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.194151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.194151 (E_RNA)
where:
Base-Base interactions energy: -129.896
where: short stacking energy: -65.759
Base-Backbone interact. energy: -0.026
local terms energy: -73.272672
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -201.191412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.191412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.191412 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.120
local terms energy: -75.066181
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -15.025
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: 299
Temperature: 1.050000
Total energy: -180.460746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.460746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.460746 (E_RNA)
where:
Base-Base interactions energy: -111.993
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.159
local terms energy: -68.308630
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -9.496
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: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -186.186372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.186372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.186372 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.127
local terms energy: -62.336386
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -185.613495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.613495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.613495 (E_RNA)
where:
Base-Base interactions energy: -113.774
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.007
local terms energy: -71.832443
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -177.001370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.001370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.001370 (E_RNA)
where:
Base-Base interactions energy: -122.365
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.302
local terms energy: -54.334879
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -9.078
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -10.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -168.706077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706077 (E_RNA)
where:
Base-Base interactions energy: -108.052
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.006
local terms energy: -60.648245
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -170.481492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.481492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.481492 (E_RNA)
where:
Base-Base interactions energy: -110.682
where: short stacking energy: -60.190
Base-Backbone interact. energy: -0.055
local terms energy: -59.743888
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -80.542823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.542823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.542823 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.290
local terms energy: -50.468306
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -232.365636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.365636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.365636 (E_RNA)
where:
Base-Base interactions energy: -156.733
where: short stacking energy: -66.788
Base-Backbone interact. energy: -0.718
local terms energy: -74.914424
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -207.186381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.186381 (E_RNA)
where:
Base-Base interactions energy: -133.724
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.003
local terms energy: -73.459826
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -186.336197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.336197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.336197 (E_RNA)
where:
Base-Base interactions energy: -119.671
where: short stacking energy: -59.353
Base-Backbone interact. energy: 0.827
local terms energy: -67.492811
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -201.804862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.804862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.804862 (E_RNA)
where:
Base-Base interactions energy: -128.235
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.435
local terms energy: -73.134855
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -20.104
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: 300
Temperature: 1.100000
Total energy: -185.037118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.037118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.037118 (E_RNA)
where:
Base-Base interactions energy: -115.306
where: short stacking energy: -60.062
Base-Backbone interact. energy: 0.610
local terms energy: -70.341807
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -187.457527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.457527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.457527 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -61.429
Base-Backbone interact. energy: 0.073
local terms energy: -65.089212
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -178.139771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.139771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.139771 (E_RNA)
where:
Base-Base interactions energy: -115.252
where: short stacking energy: -49.226
Base-Backbone interact. energy: 0.039
local terms energy: -62.926310
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -160.278460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.278460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.278460 (E_RNA)
where:
Base-Base interactions energy: -103.837
where: short stacking energy: -49.747
Base-Backbone interact. energy: -0.189
local terms energy: -56.251715
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -160.739536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.739536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.739536 (E_RNA)
where:
Base-Base interactions energy: -97.175
where: short stacking energy: -50.051
Base-Backbone interact. energy: -0.315
local terms energy: -63.249586
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -81.468492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.468492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.468492 (E_RNA)
where:
Base-Base interactions energy: -29.454
where: short stacking energy: -26.981
Base-Backbone interact. energy: -0.117
local terms energy: -51.897877
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -243.855789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.855789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.855789 (E_RNA)
where:
Base-Base interactions energy: -167.618
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.281
local terms energy: -75.957195
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -213.429989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.429989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.429989 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.049
local terms energy: -70.068510
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -211.483642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.483642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.483642 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.945
local terms energy: -64.491963
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -13.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -180.960485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.960485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.960485 (E_RNA)
where:
Base-Base interactions energy: -116.763
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.008
local terms energy: -64.188593
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -189.407799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.407799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.407799 (E_RNA)
where:
Base-Base interactions energy: -124.705
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.281
local terms energy: -64.421490
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -6.480
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -18.851
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: 301
Temperature: 1.150000
Total energy: -183.921646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.921646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.921646 (E_RNA)
where:
Base-Base interactions energy: -119.515
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.031
local terms energy: -64.375351
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -11.577
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -173.968051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.968051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.968051 (E_RNA)
where:
Base-Base interactions energy: -110.028
where: short stacking energy: -55.275
Base-Backbone interact. energy: -1.308
local terms energy: -62.632006
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -170.277666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.277666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.277666 (E_RNA)
where:
Base-Base interactions energy: -110.384
where: short stacking energy: -48.710
Base-Backbone interact. energy: -0.218
local terms energy: -59.675587
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -156.807995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.807995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.807995 (E_RNA)
where:
Base-Base interactions energy: -100.923
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.007
local terms energy: -55.877870
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -7.101
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: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -85.438607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.438607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.438607 (E_RNA)
where:
Base-Base interactions energy: -33.274
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.362
local terms energy: -51.802174
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -240.045480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.045480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.045480 (E_RNA)
where:
Base-Base interactions energy: -169.092
where: short stacking energy: -73.569
Base-Backbone interact. energy: -0.097
local terms energy: -70.856579
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -216.460276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.460276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.460276 (E_RNA)
where:
Base-Base interactions energy: -140.877
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.106
local terms energy: -75.477374
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -17.667
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: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -220.586536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.586536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.586536 (E_RNA)
where:
Base-Base interactions energy: -155.849
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.056
local terms energy: -64.682075
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -190.510424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.510424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.510424 (E_RNA)
where:
Base-Base interactions energy: -120.420
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.579
local terms energy: -69.511781
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -182.261853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.261853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.261853 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -57.585
Base-Backbone interact. energy: 0.406
local terms energy: -64.094332
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -193.871706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.871706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871706 (E_RNA)
where:
Base-Base interactions energy: -123.254
where: short stacking energy: -70.567
Base-Backbone interact. energy: -0.060
local terms energy: -70.558424
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -184.471946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.471946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.471946 (E_RNA)
where:
Base-Base interactions energy: -111.060
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.462
local terms energy: -72.950346
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -177.036658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.036658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.036658 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.752
local terms energy: -65.435186
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.301
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: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -175.319570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.319570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.319570 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.048
local terms energy: -62.378566
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -12.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -71.765324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.765324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.765324 (E_RNA)
where:
Base-Base interactions energy: -21.274
where: short stacking energy: -15.907
Base-Backbone interact. energy: 0.589
local terms energy: -51.080457
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -241.028176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.028176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.028176 (E_RNA)
where:
Base-Base interactions energy: -161.749
where: short stacking energy: -71.656
Base-Backbone interact. energy: -0.194
local terms energy: -79.085227
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -231.271374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.271374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.271374 (E_RNA)
where:
Base-Base interactions energy: -156.771
where: short stacking energy: -67.056
Base-Backbone interact. energy: -1.310
local terms energy: -73.190489
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.696
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -207.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.180322 (E_RNA)
where:
Base-Base interactions energy: -134.749
where: short stacking energy: -68.044
Base-Backbone interact. energy: 0.971
local terms energy: -73.401730
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -182.618981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.618981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.618981 (E_RNA)
where:
Base-Base interactions energy: -121.760
where: short stacking energy: -57.346
Base-Backbone interact. energy: 0.580
local terms energy: -61.439253
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -184.398877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.398877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.398877 (E_RNA)
where:
Base-Base interactions energy: -120.586
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.087
local terms energy: -63.725654
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.196
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -176.659872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.659872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.659872 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -51.762
Base-Backbone interact. energy: -0.240
local terms energy: -68.372198
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -180.100252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.100252 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.022
local terms energy: -64.522803
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -163.378540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.378540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.378540 (E_RNA)
where:
Base-Base interactions energy: -93.241
where: short stacking energy: -51.185
Base-Backbone interact. energy: -0.136
local terms energy: -70.000949
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -161.509424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.509424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.509424 (E_RNA)
where:
Base-Base interactions energy: -104.834
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.418
local terms energy: -56.257709
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -7.669
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: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -88.810023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.810023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.810023 (E_RNA)
where:
Base-Base interactions energy: -50.612
where: short stacking energy: -28.775
Base-Backbone interact. energy: 0.339
local terms energy: -38.537392
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -7.442
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -242.871213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.871213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.871213 (E_RNA)
where:
Base-Base interactions energy: -164.407
where: short stacking energy: -68.996
Base-Backbone interact. energy: 0.723
local terms energy: -79.187281
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -17.901
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -239.441169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.441169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.441169 (E_RNA)
where:
Base-Base interactions energy: -163.124
where: short stacking energy: -75.116
Base-Backbone interact. energy: -0.326
local terms energy: -75.991462
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -222.273865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.273865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.273865 (E_RNA)
where:
Base-Base interactions energy: -155.588
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.412
local terms energy: -66.273649
where:
bonds (distance) C4'-P energy: -6.473
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -187.107713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.107713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.107713 (E_RNA)
where:
Base-Base interactions energy: -123.335
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.039
local terms energy: -63.733930
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.353
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: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -187.999025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.999025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.999025 (E_RNA)
where:
Base-Base interactions energy: -128.535
where: short stacking energy: -53.360
Base-Backbone interact. energy: -0.205
local terms energy: -59.259317
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -177.408157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.408157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.408157 (E_RNA)
where:
Base-Base interactions energy: -113.644
where: short stacking energy: -52.752
Base-Backbone interact. energy: -0.005
local terms energy: -63.759811
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -183.344791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.344791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.344791 (E_RNA)
where:
Base-Base interactions energy: -116.895
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.782
local terms energy: -65.668191
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -163.795574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.795574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.795574 (E_RNA)
where:
Base-Base interactions energy: -105.905
where: short stacking energy: -51.553
Base-Backbone interact. energy: -0.019
local terms energy: -57.872458
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -87.769738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.769738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.769738 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -24.210
Base-Backbone interact. energy: -0.093
local terms energy: -54.179532
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -154.793119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.793119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.793119 (E_RNA)
where:
Base-Base interactions energy: -99.819
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.128
local terms energy: -54.845968
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.512
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: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -227.829240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.829240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.829240 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -74.526
Base-Backbone interact. energy: -1.138
local terms energy: -74.850998
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -17.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -227.712411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.712411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.712411 (E_RNA)
where:
Base-Base interactions energy: -162.259
where: short stacking energy: -65.600
Base-Backbone interact. energy: 0.277
local terms energy: -65.730031
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -14.832
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: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -226.528837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.528837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.528837 (E_RNA)
where:
Base-Base interactions energy: -154.399
where: short stacking energy: -63.618
Base-Backbone interact. energy: -2.065
local terms energy: -70.064959
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -186.671201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.671201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.671201 (E_RNA)
where:
Base-Base interactions energy: -119.026
where: short stacking energy: -53.686
Base-Backbone interact. energy: -0.119
local terms energy: -67.525982
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -182.413300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.413300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.413300 (E_RNA)
where:
Base-Base interactions energy: -106.716
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.150
local terms energy: -75.546770
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -193.324256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.324256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.324256 (E_RNA)
where:
Base-Base interactions energy: -116.289
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.000
local terms energy: -77.035495
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -184.411015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.411015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.411015 (E_RNA)
where:
Base-Base interactions energy: -124.237
where: short stacking energy: -69.368
Base-Backbone interact. energy: -0.008
local terms energy: -60.165671
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -0.356
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -166.147582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.147582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.147582 (E_RNA)
where:
Base-Base interactions energy: -107.610
where: short stacking energy: -46.580
Base-Backbone interact. energy: 1.801
local terms energy: -60.338667
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -88.029432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.029432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.029432 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.150
local terms energy: -49.333117
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -3.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -154.204231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.204231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.204231 (E_RNA)
where:
Base-Base interactions energy: -95.584
where: short stacking energy: -46.864
Base-Backbone interact. energy: -0.159
local terms energy: -58.461269
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -240.214146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.214146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.214146 (E_RNA)
where:
Base-Base interactions energy: -159.712
where: short stacking energy: -67.391
Base-Backbone interact. energy: -0.690
local terms energy: -79.812829
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -240.009318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.009318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.009318 (E_RNA)
where:
Base-Base interactions energy: -166.953
where: short stacking energy: -79.965
Base-Backbone interact. energy: 0.175
local terms energy: -73.232015
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -228.095180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.095180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.095180 (E_RNA)
where:
Base-Base interactions energy: -157.283
where: short stacking energy: -66.031
Base-Backbone interact. energy: -1.082
local terms energy: -69.730084
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -200.281690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.281690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.281690 (E_RNA)
where:
Base-Base interactions energy: -136.611
where: short stacking energy: -66.140
Base-Backbone interact. energy: -0.343
local terms energy: -63.328033
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -14.801
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: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -183.439404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.439404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.439404 (E_RNA)
where:
Base-Base interactions energy: -119.228
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.005
local terms energy: -64.206286
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -181.253575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.253575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.253575 (E_RNA)
where:
Base-Base interactions energy: -113.817
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.008
local terms energy: -67.428225
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -177.773771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.773771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.773771 (E_RNA)
where:
Base-Base interactions energy: -116.518
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.348
local terms energy: -60.907485
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -166.319431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.319431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.319431 (E_RNA)
where:
Base-Base interactions energy: -106.223
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.023
local terms energy: -60.073019
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -9.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -178.381457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.381457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.381457 (E_RNA)
where:
Base-Base interactions energy: -116.189
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.216
local terms energy: -61.976349
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -79.690843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.690843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.690843 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -24.598
Base-Backbone interact. energy: -0.235
local terms energy: -36.912531
where:
bonds (distance) C4'-P energy: -6.212
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -235.508206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.508206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.508206 (E_RNA)
where:
Base-Base interactions energy: -154.724
where: short stacking energy: -74.188
Base-Backbone interact. energy: -1.088
local terms energy: -79.695497
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -239.949510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.949510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.949510 (E_RNA)
where:
Base-Base interactions energy: -167.239
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.649
local terms energy: -72.061943
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -217.087080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.087080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087080 (E_RNA)
where:
Base-Base interactions energy: -145.780
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.244
local terms energy: -71.062301
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -193.788064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.788064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788064 (E_RNA)
where:
Base-Base interactions energy: -118.899
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.114
local terms energy: -74.774779
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -188.310902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.310902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.310902 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -64.692
Base-Backbone interact. energy: 0.789
local terms energy: -69.104485
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -194.585473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.585473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.585473 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.474
local terms energy: -75.246614
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -172.729449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.729449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.729449 (E_RNA)
where:
Base-Base interactions energy: -108.147
where: short stacking energy: -45.867
Base-Backbone interact. energy: 0.158
local terms energy: -64.740880
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -173.793729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.793729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.793729 (E_RNA)
where:
Base-Base interactions energy: -115.357
where: short stacking energy: -53.536
Base-Backbone interact. energy: -0.189
local terms energy: -58.248094
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -152.049178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.049178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.049178 (E_RNA)
where:
Base-Base interactions energy: -101.373
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.338
local terms energy: -50.338199
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -90.071443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.071443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.071443 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.293
local terms energy: -51.566231
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -235.407992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.407992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.407992 (E_RNA)
where:
Base-Base interactions energy: -165.569
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.442
local terms energy: -69.397747
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -233.030258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.030258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.030258 (E_RNA)
where:
Base-Base interactions energy: -154.774
where: short stacking energy: -71.893
Base-Backbone interact. energy: 0.205
local terms energy: -78.461539
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -8.502
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: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -215.091915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091915 (E_RNA)
where:
Base-Base interactions energy: -148.454
where: short stacking energy: -56.090
Base-Backbone interact. energy: -0.764
local terms energy: -65.874201
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -186.722240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.722240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.722240 (E_RNA)
where:
Base-Base interactions energy: -120.928
where: short stacking energy: -64.103
Base-Backbone interact. energy: -0.008
local terms energy: -65.786753
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -14.138
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: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -193.263448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.263448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.263448 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.016
local terms energy: -64.491374
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -178.189733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.189733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.189733 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -45.576
Base-Backbone interact. energy: -0.521
local terms energy: -60.273723
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -178.097746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.097746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.097746 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -60.467
Base-Backbone interact. energy: 0.003
local terms energy: -58.772882
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -9.221
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: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -169.616919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.616919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.616919 (E_RNA)
where:
Base-Base interactions energy: -111.029
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.268
local terms energy: -58.320408
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -10.385
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: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -151.217537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.217537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.217537 (E_RNA)
where:
Base-Base interactions energy: -97.787
where: short stacking energy: -37.600
Base-Backbone interact. energy: 0.051
local terms energy: -53.481282
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -87.798088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.798088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.798088 (E_RNA)
where:
Base-Base interactions energy: -49.522
where: short stacking energy: -33.748
Base-Backbone interact. energy: -1.108
local terms energy: -37.168681
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: 0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -237.925547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.925547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.925547 (E_RNA)
where:
Base-Base interactions energy: -161.450
where: short stacking energy: -79.796
Base-Backbone interact. energy: -0.593
local terms energy: -75.882587
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -239.569539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.569539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.569539 (E_RNA)
where:
Base-Base interactions energy: -163.511
where: short stacking energy: -79.770
Base-Backbone interact. energy: -0.426
local terms energy: -75.632386
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -214.328586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328586 (E_RNA)
where:
Base-Base interactions energy: -139.632
where: short stacking energy: -59.431
Base-Backbone interact. energy: -0.648
local terms energy: -74.048954
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -197.013977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.013977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.013977 (E_RNA)
where:
Base-Base interactions energy: -131.067
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.115
local terms energy: -65.832153
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -192.205286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.205286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.205286 (E_RNA)
where:
Base-Base interactions energy: -122.705
where: short stacking energy: -59.381
Base-Backbone interact. energy: -0.242
local terms energy: -69.258455
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -185.631236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.631236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.631236 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -59.167
Base-Backbone interact. energy: -0.447
local terms energy: -64.671983
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -16.988
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: 309
Temperature: 1.200000
Total energy: -173.288946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.288946 (E_RNA)
where:
Base-Base interactions energy: -108.647
where: short stacking energy: -55.066
Base-Backbone interact. energy: -1.029
local terms energy: -63.612290
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -11.296
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -137.371805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.371805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.371805 (E_RNA)
where:
Base-Base interactions energy: -87.960
where: short stacking energy: -49.027
Base-Backbone interact. energy: 0.405
local terms energy: -49.816143
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -162.237505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.237505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.237505 (E_RNA)
where:
Base-Base interactions energy: -102.487
where: short stacking energy: -44.206
Base-Backbone interact. energy: -0.285
local terms energy: -59.464969
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -97.481567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.481567 (E_RNA)
where:
Base-Base interactions energy: -44.062
where: short stacking energy: -37.508
Base-Backbone interact. energy: -0.294
local terms energy: -53.125835
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -238.631371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.631371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.631371 (E_RNA)
where:
Base-Base interactions energy: -167.625
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.609
local terms energy: -70.398055
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.012
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: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -231.822284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.822284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.822284 (E_RNA)
where:
Base-Base interactions energy: -159.136
where: short stacking energy: -76.439
Base-Backbone interact. energy: -1.551
local terms energy: -71.135267
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -19.323
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: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -225.763928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763928 (E_RNA)
where:
Base-Base interactions energy: -153.621
where: short stacking energy: -61.727
Base-Backbone interact. energy: -0.863
local terms energy: -71.280065
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -190.665823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.665823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.665823 (E_RNA)
where:
Base-Base interactions energy: -123.980
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.003
local terms energy: -66.682623
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -189.462322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.462322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.462322 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -48.992
Base-Backbone interact. energy: -0.202
local terms energy: -67.237491
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -195.369435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.369435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.369435 (E_RNA)
where:
Base-Base interactions energy: -130.921
where: short stacking energy: -65.629
Base-Backbone interact. energy: 0.607
local terms energy: -65.055450
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -187.318536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.318536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.318536 (E_RNA)
where:
Base-Base interactions energy: -119.268
where: short stacking energy: -60.312
Base-Backbone interact. energy: -0.565
local terms energy: -67.485830
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -12.857
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: 310
Temperature: 1.250000
Total energy: -154.538744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.538744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.538744 (E_RNA)
where:
Base-Base interactions energy: -97.340
where: short stacking energy: -44.497
Base-Backbone interact. energy: -0.698
local terms energy: -56.501048
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -162.778215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.778215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.778215 (E_RNA)
where:
Base-Base interactions energy: -102.930
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.164
local terms energy: -59.684168
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -13.401
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -95.808049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.808049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.808049 (E_RNA)
where:
Base-Base interactions energy: -53.421
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.103
local terms energy: -42.284113
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -4.518
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -237.482126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.482126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.482126 (E_RNA)
where:
Base-Base interactions energy: -163.461
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.054
local terms energy: -73.967087
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -237.389241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.389241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.389241 (E_RNA)
where:
Base-Base interactions energy: -160.554
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.760
local terms energy: -76.074758
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -230.511505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.511505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.511505 (E_RNA)
where:
Base-Base interactions energy: -156.215
where: short stacking energy: -70.077
Base-Backbone interact. energy: -0.060
local terms energy: -74.236660
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -188.751755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.751755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.751755 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -46.892
Base-Backbone interact. energy: -0.010
local terms energy: -71.061641
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -14.083
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: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -205.175438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175438 (E_RNA)
where:
Base-Base interactions energy: -140.814
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.003
local terms energy: -64.358841
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -175.940861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.940861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.940861 (E_RNA)
where:
Base-Base interactions energy: -115.983
where: short stacking energy: -59.288
Base-Backbone interact. energy: -0.218
local terms energy: -59.739750
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -5.795
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -6.569
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: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -181.859695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.859695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.859695 (E_RNA)
where:
Base-Base interactions energy: -117.256
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.495
local terms energy: -64.108552
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -174.434199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.434199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.434199 (E_RNA)
where:
Base-Base interactions energy: -109.501
where: short stacking energy: -50.368
Base-Backbone interact. energy: -0.023
local terms energy: -64.910703
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -153.947128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.947128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.947128 (E_RNA)
where:
Base-Base interactions energy: -100.948
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.011
local terms energy: -52.987637
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -6.275
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -10.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -81.421367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.421367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.421367 (E_RNA)
where:
Base-Base interactions energy: -33.386
where: short stacking energy: -22.363
Base-Backbone interact. energy: 0.090
local terms energy: -48.125305
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: 1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -239.432464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.432464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.432464 (E_RNA)
where:
Base-Base interactions energy: -156.803
where: short stacking energy: -73.052
Base-Backbone interact. energy: -0.470
local terms energy: -82.160026
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -232.289963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.289963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.289963 (E_RNA)
where:
Base-Base interactions energy: -160.493
where: short stacking energy: -63.569
Base-Backbone interact. energy: -1.553
local terms energy: -70.244141
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -15.771
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: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -191.491019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.491019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.491019 (E_RNA)
where:
Base-Base interactions energy: -124.676
where: short stacking energy: -59.356
Base-Backbone interact. energy: -0.004
local terms energy: -66.810497
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -11.615
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: 312
Temperature: 1.050000
Total energy: -233.537830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.537830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.537830 (E_RNA)
where:
Base-Base interactions energy: -156.086
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.608
local terms energy: -76.843450
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -189.601957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.601957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.601957 (E_RNA)
where:
Base-Base interactions energy: -124.215
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.831
local terms energy: -64.555921
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -197.814822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.814822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.814822 (E_RNA)
where:
Base-Base interactions energy: -126.119
where: short stacking energy: -68.342
Base-Backbone interact. energy: -0.006
local terms energy: -71.689879
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.243
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: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -172.169321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.169321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.169321 (E_RNA)
where:
Base-Base interactions energy: -106.074
where: short stacking energy: -43.208
Base-Backbone interact. energy: -0.128
local terms energy: -65.967074
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -171.700434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.700434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.700434 (E_RNA)
where:
Base-Base interactions energy: -110.913
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.103
local terms energy: -60.684864
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -163.726904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.726904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.726904 (E_RNA)
where:
Base-Base interactions energy: -107.881
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.497
local terms energy: -55.348769
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -12.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -105.064995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.064995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.064995 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -41.610
Base-Backbone interact. energy: -0.017
local terms energy: -59.191910
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -5.256
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: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -237.265158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.265158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.265158 (E_RNA)
where:
Base-Base interactions energy: -173.861
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.310
local terms energy: -63.094209
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -201.822621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.822621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.822621 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.021
local terms energy: -69.834184
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -18.228
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -233.405515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.405515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.405515 (E_RNA)
where:
Base-Base interactions energy: -161.789
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.667
local terms energy: -70.948799
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -187.687279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.687279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.687279 (E_RNA)
where:
Base-Base interactions energy: -120.646
where: short stacking energy: -53.535
Base-Backbone interact. energy: -1.486
local terms energy: -65.554725
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -207.270301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.270301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.270301 (E_RNA)
where:
Base-Base interactions energy: -131.307
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.037
local terms energy: -75.926107
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -173.694853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.694853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.694853 (E_RNA)
where:
Base-Base interactions energy: -117.351
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.035
local terms energy: -56.308220
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -12.396
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: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -180.673634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673634 (E_RNA)
where:
Base-Base interactions energy: -119.854
where: short stacking energy: -57.967
Base-Backbone interact. energy: -0.080
local terms energy: -60.739735
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -177.007579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007579 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -56.881
Base-Backbone interact. energy: -0.097
local terms energy: -64.526087
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -12.307
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: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -158.392127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.392127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.392127 (E_RNA)
where:
Base-Base interactions energy: -101.516
where: short stacking energy: -49.370
Base-Backbone interact. energy: -0.775
local terms energy: -56.101407
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.050
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: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -78.996372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.996372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.996372 (E_RNA)
where:
Base-Base interactions energy: -29.508
where: short stacking energy: -27.893
Base-Backbone interact. energy: -1.462
local terms energy: -48.025786
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -238.330211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.330211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.330211 (E_RNA)
where:
Base-Base interactions energy: -164.020
where: short stacking energy: -78.195
Base-Backbone interact. energy: -0.893
local terms energy: -73.416909
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -200.775776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.775776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.775776 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -64.954
Base-Backbone interact. energy: -0.832
local terms energy: -68.403044
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -226.257374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.257374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.257374 (E_RNA)
where:
Base-Base interactions energy: -149.653
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.743
local terms energy: -75.861245
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -185.055130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.055130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.055130 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.098
local terms energy: -60.463741
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -13.492
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: 314
Temperature: 1.100000
Total energy: -194.356395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.356395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.356395 (E_RNA)
where:
Base-Base interactions energy: -127.603
where: short stacking energy: -63.660
Base-Backbone interact. energy: -0.143
local terms energy: -66.609998
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -180.255820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.255820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.255820 (E_RNA)
where:
Base-Base interactions energy: -116.601
where: short stacking energy: -51.364
Base-Backbone interact. energy: -0.607
local terms energy: -63.047553
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -11.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -180.405789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.405789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.405789 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.036
local terms energy: -61.588509
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -15.463
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: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -171.593261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.593261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.593261 (E_RNA)
where:
Base-Base interactions energy: -111.074
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.067
local terms energy: -60.451803
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -175.871800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.871800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.871800 (E_RNA)
where:
Base-Base interactions energy: -114.551
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.105
local terms energy: -61.215687
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -4.468
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -101.776663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.776663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.776663 (E_RNA)
where:
Base-Base interactions energy: -61.739
where: short stacking energy: -32.790
Base-Backbone interact. energy: 1.119
local terms energy: -41.156649
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -6.249
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -233.088234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.088234 (E_RNA)
where:
Base-Base interactions energy: -157.920
where: short stacking energy: -74.804
Base-Backbone interact. energy: -0.178
local terms energy: -74.989509
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -233.075218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.075218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.075218 (E_RNA)
where:
Base-Base interactions energy: -160.696
where: short stacking energy: -64.653
Base-Backbone interact. energy: -1.068
local terms energy: -71.310996
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -192.832966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.832966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.832966 (E_RNA)
where:
Base-Base interactions energy: -122.107
where: short stacking energy: -56.702
Base-Backbone interact. energy: -0.019
local terms energy: -70.707087
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -191.679064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.679064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.679064 (E_RNA)
where:
Base-Base interactions energy: -124.079
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.032
local terms energy: -67.567574
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -187.774133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.774133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.774133 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.004
local terms energy: -77.901578
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -186.600307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.600307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.600307 (E_RNA)
where:
Base-Base interactions energy: -117.205
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.003
local terms energy: -69.392505
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -177.457958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.457958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.457958 (E_RNA)
where:
Base-Base interactions energy: -112.992
where: short stacking energy: -51.416
Base-Backbone interact. energy: -0.479
local terms energy: -63.987042
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -159.847815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.847815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.847815 (E_RNA)
where:
Base-Base interactions energy: -102.243
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.168
local terms energy: -57.436771
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -164.635049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.635049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.635049 (E_RNA)
where:
Base-Base interactions energy: -109.487
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.066
local terms energy: -55.082092
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -96.283701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.283701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.283701 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -44.230
Base-Backbone interact. energy: -0.023
local terms energy: -52.230944
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -239.426279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.426279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.426279 (E_RNA)
where:
Base-Base interactions energy: -162.925
where: short stacking energy: -79.516
Base-Backbone interact. energy: 0.455
local terms energy: -76.956060
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -18.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -230.357592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.357592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.357592 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -65.578
Base-Backbone interact. energy: -0.110
local terms energy: -67.792493
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -207.226126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.226126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.226126 (E_RNA)
where:
Base-Base interactions energy: -133.696
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.010
local terms energy: -73.520638
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -192.087534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.087534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.087534 (E_RNA)
where:
Base-Base interactions energy: -117.837
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.260
local terms energy: -73.991227
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -180.922631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.922631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.922631 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -55.237
Base-Backbone interact. energy: -0.225
local terms energy: -65.426111
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -13.759
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: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -166.704290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.704290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.704290 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.527
local terms energy: -56.535210
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -174.622600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.622600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.622600 (E_RNA)
where:
Base-Base interactions energy: -111.098
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.140
local terms energy: -63.384536
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -7.776
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -14.428
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: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -164.859111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.859111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.859111 (E_RNA)
where:
Base-Base interactions energy: -105.860
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.237
local terms energy: -58.761508
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -11.317
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -167.967381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.967381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.967381 (E_RNA)
where:
Base-Base interactions energy: -104.655
where: short stacking energy: -49.110
Base-Backbone interact. energy: 1.763
local terms energy: -65.075036
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -12.764
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: 10, replica: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -82.542843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.542843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.542843 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.218
local terms energy: -51.634832
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -240.446613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.446613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.446613 (E_RNA)
where:
Base-Base interactions energy: -160.198
where: short stacking energy: -81.994
Base-Backbone interact. energy: -0.292
local terms energy: -79.955906
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.865
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: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -228.052015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.052015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.052015 (E_RNA)
where:
Base-Base interactions energy: -153.912
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.854
local terms energy: -73.285600
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -6.537
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: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -201.595738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.595738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.595738 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.216
local terms energy: -63.933251
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -15.792
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: 317
Temperature: 1.050000
Total energy: -190.301935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.301935 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.382
local terms energy: -66.138238
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -182.136789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.136789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.136789 (E_RNA)
where:
Base-Base interactions energy: -115.353
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.064
local terms energy: -66.719316
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -13.335
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -174.979883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.979883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.979883 (E_RNA)
where:
Base-Base interactions energy: -110.208
where: short stacking energy: -47.640
Base-Backbone interact. energy: -0.489
local terms energy: -64.283160
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -10.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -184.473404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.473404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.473404 (E_RNA)
where:
Base-Base interactions energy: -124.160
where: short stacking energy: -57.766
Base-Backbone interact. energy: 1.529
local terms energy: -61.841884
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -163.136169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.136169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.136169 (E_RNA)
where:
Base-Base interactions energy: -97.938
where: short stacking energy: -45.981
Base-Backbone interact. energy: 0.669
local terms energy: -65.867066
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -10.216
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: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -166.667072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.667072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.667072 (E_RNA)
where:
Base-Base interactions energy: -110.298
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.007
local terms energy: -56.362148
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -3.759
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -80.698555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698555 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.005
local terms energy: -48.217442
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -233.203991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.203991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.203991 (E_RNA)
where:
Base-Base interactions energy: -150.177
where: short stacking energy: -66.979
Base-Backbone interact. energy: -0.206
local terms energy: -82.821471
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -228.860642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.860642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.860642 (E_RNA)
where:
Base-Base interactions energy: -162.138
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.690
local terms energy: -66.032810
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -189.236296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.236296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.236296 (E_RNA)
where:
Base-Base interactions energy: -120.219
where: short stacking energy: -50.930
Base-Backbone interact. energy: -0.134
local terms energy: -68.883299
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.692
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: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -188.134576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.134576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.134576 (E_RNA)
where:
Base-Base interactions energy: -119.756
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.024
local terms energy: -68.354730
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -200.558408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.558408 (E_RNA)
where:
Base-Base interactions energy: -130.686
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.011
local terms energy: -69.861822
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -181.792931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.792931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.792931 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.022
local terms energy: -62.177454
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -6.144
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -179.669296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669296 (E_RNA)
where:
Base-Base interactions energy: -109.636
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.211
local terms energy: -69.822411
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -10.456
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: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -164.362624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.362624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.362624 (E_RNA)
where:
Base-Base interactions energy: -102.901
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.126
local terms energy: -61.335702
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -87.561636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.561636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.561636 (E_RNA)
where:
Base-Base interactions energy: -48.804
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.169
local terms energy: -38.587712
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -7.754
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -4.718
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: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -152.479173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.479173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.479173 (E_RNA)
where:
Base-Base interactions energy: -99.701
where: short stacking energy: -38.680
Base-Backbone interact. energy: -0.322
local terms energy: -52.456687
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -6.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -237.142311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.142311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.142311 (E_RNA)
where:
Base-Base interactions energy: -164.055
where: short stacking energy: -77.393
Base-Backbone interact. energy: -1.122
local terms energy: -71.965964
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -234.985873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.985873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.985873 (E_RNA)
where:
Base-Base interactions energy: -158.479
where: short stacking energy: -70.931
Base-Backbone interact. energy: -0.077
local terms energy: -76.429787
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -188.685392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.685392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.685392 (E_RNA)
where:
Base-Base interactions energy: -140.374
where: short stacking energy: -57.929
Base-Backbone interact. energy: 2.487
local terms energy: -50.798731
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -179.414440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.414440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.414440 (E_RNA)
where:
Base-Base interactions energy: -115.259
where: short stacking energy: -56.994
Base-Backbone interact. energy: -0.143
local terms energy: -64.013067
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: -8.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -181.030038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.030038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.030038 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.358
local terms energy: -64.070527
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -187.852426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.852426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.852426 (E_RNA)
where:
Base-Base interactions energy: -126.525
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.141
local terms energy: -61.187019
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -13.250
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: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -151.066587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.066587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.066587 (E_RNA)
where:
Base-Base interactions energy: -100.523
where: short stacking energy: -49.229
Base-Backbone interact. energy: -0.266
local terms energy: -50.277493
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.358
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: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -158.581087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.581087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.581087 (E_RNA)
where:
Base-Base interactions energy: -102.234
where: short stacking energy: -43.639
Base-Backbone interact. energy: -0.986
local terms energy: -55.360939
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -84.615010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.615010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.615010 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -30.696
Base-Backbone interact. energy: -0.075
local terms energy: -51.521258
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -162.635400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.635400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.635400 (E_RNA)
where:
Base-Base interactions energy: -100.552
where: short stacking energy: -42.747
Base-Backbone interact. energy: -0.040
local terms energy: -62.043112
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -8.047
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -240.897567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.897567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.897567 (E_RNA)
where:
Base-Base interactions energy: -167.360
where: short stacking energy: -69.538
Base-Backbone interact. energy: 0.010
local terms energy: -73.546882
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -224.508779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.508779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.508779 (E_RNA)
where:
Base-Base interactions energy: -157.051
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.251
local terms energy: -67.206954
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -199.461368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.461368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.461368 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -52.471
Base-Backbone interact. energy: 1.029
local terms energy: -56.617816
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -192.085988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.085988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.085988 (E_RNA)
where:
Base-Base interactions energy: -123.402
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.001
local terms energy: -68.682863
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -16.221
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: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -193.330028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.330028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.330028 (E_RNA)
where:
Base-Base interactions energy: -124.056
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.889
local terms energy: -68.385325
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -177.290084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.290084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.290084 (E_RNA)
where:
Base-Base interactions energy: -114.092
where: short stacking energy: -59.823
Base-Backbone interact. energy: 0.328
local terms energy: -63.526060
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -166.570711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.570711 (E_RNA)
where:
Base-Base interactions energy: -103.360
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.098
local terms energy: -63.113056
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -8.029
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -174.158440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.158440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.158440 (E_RNA)
where:
Base-Base interactions energy: -111.575
where: short stacking energy: -54.589
Base-Backbone interact. energy: -0.711
local terms energy: -61.872662
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -161.158858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.158858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.158858 (E_RNA)
where:
Base-Base interactions energy: -107.458
where: short stacking energy: -51.145
Base-Backbone interact. energy: -0.454
local terms energy: -53.246643
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -11.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.470637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.470637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.470637 (E_RNA)
where:
Base-Base interactions energy: -32.783
where: short stacking energy: -20.498
Base-Backbone interact. energy: -0.707
local terms energy: -42.980632
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -1.297
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: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -239.045484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.045484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.045484 (E_RNA)
where:
Base-Base interactions energy: -163.378
where: short stacking energy: -72.009
Base-Backbone interact. energy: -0.143
local terms energy: -75.524517
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -231.828658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828658 (E_RNA)
where:
Base-Base interactions energy: -157.846
where: short stacking energy: -72.623
Base-Backbone interact. energy: -0.131
local terms energy: -73.851793
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -198.728679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.728679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.728679 (E_RNA)
where:
Base-Base interactions energy: -129.502
where: short stacking energy: -54.264
Base-Backbone interact. energy: -1.177
local terms energy: -68.049809
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -12.678
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: 8
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -178.853580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.853580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.853580 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -51.047
Base-Backbone interact. energy: -0.243
local terms energy: -54.405936
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.143
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: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -193.954797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.954797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.954797 (E_RNA)
where:
Base-Base interactions energy: -124.422
where: short stacking energy: -57.852
Base-Backbone interact. energy: -0.516
local terms energy: -69.017338
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -182.692351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.692351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.692351 (E_RNA)
where:
Base-Base interactions energy: -115.009
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.835
local terms energy: -66.848284
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -13.885
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: 4
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -169.241499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.241499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.241499 (E_RNA)
where:
Base-Base interactions energy: -108.144
where: short stacking energy: -52.183
Base-Backbone interact. energy: 0.534
local terms energy: -61.631999
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -9.501
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -164.110363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.110363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.110363 (E_RNA)
where:
Base-Base interactions energy: -107.383
where: short stacking energy: -61.598
Base-Backbone interact. energy: 0.333
local terms energy: -57.060540
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -169.382836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.382836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.382836 (E_RNA)
where:
Base-Base interactions energy: -101.031
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.167
local terms energy: -68.185136
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -88.046119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.046119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.046119 (E_RNA)
where:
Base-Base interactions energy: -45.746
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.163
local terms energy: -42.136936
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -231.448407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.448407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.448407 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -71.688
Base-Backbone interact. energy: 0.182
local terms energy: -75.523230
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -17.316
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: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -236.090537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.090537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.090537 (E_RNA)
where:
Base-Base interactions energy: -166.939
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.738
local terms energy: -68.413864
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -12.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -196.020872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.020872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.020872 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.129
local terms energy: -67.400614
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -14.878
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: 322
Temperature: 1.050000
Total energy: -170.344676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.344676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.344676 (E_RNA)
where:
Base-Base interactions energy: -113.749
where: short stacking energy: -42.402
Base-Backbone interact. energy: 0.027
local terms energy: -56.623239
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -185.302737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.302737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.302737 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -63.254
Base-Backbone interact. energy: -0.024
local terms energy: -69.229758
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -182.301455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.301455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.301455 (E_RNA)
where:
Base-Base interactions energy: -111.131
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.126
local terms energy: -71.043825
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -18.654
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: 322
Temperature: 1.200000
Total energy: -189.572691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.572691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.572691 (E_RNA)
where:
Base-Base interactions energy: -119.675
where: short stacking energy: -64.121
Base-Backbone interact. energy: -0.628
local terms energy: -69.269944
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -157.363505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.363505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.363505 (E_RNA)
where:
Base-Base interactions energy: -96.619
where: short stacking energy: -47.081
Base-Backbone interact. energy: -0.014
local terms energy: -60.730355
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -160.266447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.266447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.266447 (E_RNA)
where:
Base-Base interactions energy: -101.436
where: short stacking energy: -53.180
Base-Backbone interact. energy: -0.102
local terms energy: -58.727699
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -85.109477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.109477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.109477 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -33.692
Base-Backbone interact. energy: -0.108
local terms energy: -51.309862
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -238.876474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.876474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.876474 (E_RNA)
where:
Base-Base interactions energy: -162.965
where: short stacking energy: -76.241
Base-Backbone interact. energy: -1.331
local terms energy: -74.580165
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -231.482631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.482631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.482631 (E_RNA)
where:
Base-Base interactions energy: -160.418
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.778
local terms energy: -70.286017
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -11.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -188.126169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.126169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.126169 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -56.568
Base-Backbone interact. energy: -0.661
local terms energy: -67.289696
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -183.524235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.524235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.524235 (E_RNA)
where:
Base-Base interactions energy: -117.937
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.122
local terms energy: -65.465535
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -14.115
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: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -189.029769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.029769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.029769 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.019
local terms energy: -69.175734
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -186.633527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.633527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.633527 (E_RNA)
where:
Base-Base interactions energy: -116.509
where: short stacking energy: -50.479
Base-Backbone interact. energy: -0.174
local terms energy: -69.950155
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -11.355
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: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -183.266150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.266150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.266150 (E_RNA)
where:
Base-Base interactions energy: -119.151
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.047
local terms energy: -64.068227
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -170.548326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.548326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.548326 (E_RNA)
where:
Base-Base interactions energy: -115.923
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.006
local terms energy: -54.619175
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -5.966
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -149.197312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.197312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.197312 (E_RNA)
where:
Base-Base interactions energy: -94.802
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.119
local terms energy: -54.276009
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -75.002102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.002102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.002102 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -26.507
Base-Backbone interact. energy: 0.167
local terms energy: -39.497244
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -2.789
tors. eta vs tors. theta energy: -2.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -235.395422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.395422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.395422 (E_RNA)
where:
Base-Base interactions energy: -156.547
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.811
local terms energy: -78.037491
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -20.163
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: 2, replica: 10
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -230.189025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.189025 (E_RNA)
where:
Base-Base interactions energy: -158.772
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.519
local terms energy: -70.897754
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.735
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -200.838256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.838256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.838256 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.004
local terms energy: -69.178701
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -191.455246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.455246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.455246 (E_RNA)
where:
Base-Base interactions energy: -121.170
where: short stacking energy: -53.863
Base-Backbone interact. energy: -0.001
local terms energy: -70.283474
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -187.841040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.841040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.841040 (E_RNA)
where:
Base-Base interactions energy: -119.337
where: short stacking energy: -53.125
Base-Backbone interact. energy: -0.101
local terms energy: -68.402841
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -13.492
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: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -182.448113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448113 (E_RNA)
where:
Base-Base interactions energy: -121.402
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.046
local terms energy: -61.000082
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -7.407
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -15.900
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: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -183.452000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.452000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.452000 (E_RNA)
where:
Base-Base interactions energy: -124.221
where: short stacking energy: -66.793
Base-Backbone interact. energy: 0.458
local terms energy: -59.689209
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -177.465672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.465672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.465672 (E_RNA)
where:
Base-Base interactions energy: -113.591
where: short stacking energy: -53.856
Base-Backbone interact. energy: -0.180
local terms energy: -63.694315
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.684
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: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -149.710661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.710661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.710661 (E_RNA)
where:
Base-Base interactions energy: -92.693
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.010
local terms energy: -57.007068
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -5.697
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -11.398
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -78.283209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.283209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.283209 (E_RNA)
where:
Base-Base interactions energy: -26.973
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.294
local terms energy: -51.015702
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.033
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -234.611523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.611523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.611523 (E_RNA)
where:
Base-Base interactions energy: -160.707
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.209
local terms energy: -73.695510
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -227.084556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.084556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.084556 (E_RNA)
where:
Base-Base interactions energy: -147.844
where: short stacking energy: -70.573
Base-Backbone interact. energy: -1.151
local terms energy: -78.089667
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -13.760
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: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -217.010280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.010280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.010280 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.045
local terms energy: -76.986481
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -18.146
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -192.271817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.271817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.271817 (E_RNA)
where:
Base-Base interactions energy: -122.265
where: short stacking energy: -51.717
Base-Backbone interact. energy: -0.037
local terms energy: -69.969928
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -14.100
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -198.049739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.049739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.049739 (E_RNA)
where:
Base-Base interactions energy: -130.683
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.001
local terms energy: -67.365330
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -15.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -182.842562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.842562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.842562 (E_RNA)
where:
Base-Base interactions energy: -113.947
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.022
local terms energy: -68.873786
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -174.363104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.363104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.363104 (E_RNA)
where:
Base-Base interactions energy: -113.335
where: short stacking energy: -57.993
Base-Backbone interact. energy: 0.165
local terms energy: -61.193164
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.058
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: 8, replica: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -168.262521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.262521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.262521 (E_RNA)
where:
Base-Base interactions energy: -100.080
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.286
local terms energy: -67.896283
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -144.734784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.734784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.734784 (E_RNA)
where:
Base-Base interactions energy: -86.770
where: short stacking energy: -43.277
Base-Backbone interact. energy: -0.070
local terms energy: -57.894690
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -90.351122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.351122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.351122 (E_RNA)
where:
Base-Base interactions energy: -42.864
where: short stacking energy: -28.420
Base-Backbone interact. energy: -0.220
local terms energy: -47.267470
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -237.682021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.682021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.682021 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.805
local terms energy: -77.036864
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -233.421493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.421493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.421493 (E_RNA)
where:
Base-Base interactions energy: -155.721
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.740
local terms energy: -76.960558
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -180.587135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.587135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.587135 (E_RNA)
where:
Base-Base interactions energy: -124.518
where: short stacking energy: -58.574
Base-Backbone interact. energy: 1.008
local terms energy: -57.077152
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -192.788123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788123 (E_RNA)
where:
Base-Base interactions energy: -126.965
where: short stacking energy: -71.900
Base-Backbone interact. energy: 0.758
local terms energy: -66.580478
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -16.863
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: 2
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -179.857099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857099 (E_RNA)
where:
Base-Base interactions energy: -112.693
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.545
local terms energy: -66.618170
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -12.386
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: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -185.609663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.609663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.609663 (E_RNA)
where:
Base-Base interactions energy: -119.880
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.258
local terms energy: -65.471358
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -171.456741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.456741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.456741 (E_RNA)
where:
Base-Base interactions energy: -112.632
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.742
local terms energy: -58.082412
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -13.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -184.677449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.677449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677449 (E_RNA)
where:
Base-Base interactions energy: -135.764
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.245
local terms energy: -48.668476
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -160.334815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.334815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.334815 (E_RNA)
where:
Base-Base interactions energy: -102.673
where: short stacking energy: -40.701
Base-Backbone interact. energy: -0.263
local terms energy: -57.398787
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -8.329
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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.198051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.198051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.198051 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.101
local terms energy: -48.530068
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -236.622972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.622972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.622972 (E_RNA)
where:
Base-Base interactions energy: -163.990
where: short stacking energy: -68.575
Base-Backbone interact. energy: -1.422
local terms energy: -71.210610
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -243.662062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.662062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.662062 (E_RNA)
where:
Base-Base interactions energy: -173.180
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.591
local terms energy: -69.891632
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -214.867226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.867226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.867226 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.016
local terms energy: -77.451322
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -200.981227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.981227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.981227 (E_RNA)
where:
Base-Base interactions energy: -132.368
where: short stacking energy: -69.309
Base-Backbone interact. energy: -1.056
local terms energy: -67.557835
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.768
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: 5, replica: 2
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -180.514507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.514507 (E_RNA)
where:
Base-Base interactions energy: -113.631
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.355
local terms energy: -66.528576
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -13.942
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: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -179.784974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.784974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.784974 (E_RNA)
where:
Base-Base interactions energy: -117.087
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.729
local terms energy: -61.969482
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -14.883
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -181.430529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.430529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.430529 (E_RNA)
where:
Base-Base interactions energy: -119.401
where: short stacking energy: -64.580
Base-Backbone interact. energy: -0.222
local terms energy: -61.807398
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -164.967404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.967404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.967404 (E_RNA)
where:
Base-Base interactions energy: -103.966
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.001
local terms energy: -61.000528
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.143
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -164.840162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.840162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.840162 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -46.321
Base-Backbone interact. energy: 0.005
local terms energy: -64.483174
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -12.962
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: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -98.264968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.264968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.264968 (E_RNA)
where:
Base-Base interactions energy: -40.542
where: short stacking energy: -36.245
Base-Backbone interact. energy: -0.841
local terms energy: -56.882560
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.367
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: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -234.181170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.181170 (E_RNA)
where:
Base-Base interactions energy: -159.242
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.935
local terms energy: -74.003912
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -230.942490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.942490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.942490 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -68.255
Base-Backbone interact. energy: -0.988
local terms energy: -69.304193
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -203.913384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.913384 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -65.334
Base-Backbone interact. energy: 0.102
local terms energy: -75.971182
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -187.763712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.763712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.763712 (E_RNA)
where:
Base-Base interactions energy: -130.491
where: short stacking energy: -58.397
Base-Backbone interact. energy: 0.906
local terms energy: -58.178591
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -8.405
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -184.507132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.507132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.507132 (E_RNA)
where:
Base-Base interactions energy: -116.620
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.014
local terms energy: -67.873406
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -12.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -177.772747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.772747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.772747 (E_RNA)
where:
Base-Base interactions energy: -114.221
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.109
local terms energy: -63.442627
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -176.998443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.998443 (E_RNA)
where:
Base-Base interactions energy: -118.548
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.348
local terms energy: -58.102749
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -166.317933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.317933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.317933 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -55.232
Base-Backbone interact. energy: -0.158
local terms energy: -62.657891
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.432803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.432803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.432803 (E_RNA)
where:
Base-Base interactions energy: -30.604
where: short stacking energy: -30.604
Base-Backbone interact. energy: -0.202
local terms energy: -55.626729
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -163.062095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.062095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.062095 (E_RNA)
where:
Base-Base interactions energy: -100.075
where: short stacking energy: -39.957
Base-Backbone interact. energy: -0.102
local terms energy: -62.885560
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -238.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.869370 (E_RNA)
where:
Base-Base interactions energy: -157.854
where: short stacking energy: -62.243
Base-Backbone interact. energy: -1.093
local terms energy: -79.922583
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -10.094
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: 2, replica: 10
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -237.310896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.310896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.310896 (E_RNA)
where:
Base-Base interactions energy: -162.883
where: short stacking energy: -70.017
Base-Backbone interact. energy: -2.092
local terms energy: -72.336052
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -205.330807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.330807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.330807 (E_RNA)
where:
Base-Base interactions energy: -131.359
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.163
local terms energy: -73.809190
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -187.100416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.100416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.100416 (E_RNA)
where:
Base-Base interactions energy: -121.309
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.396
local terms energy: -65.394884
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -177.369265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.369265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.369265 (E_RNA)
where:
Base-Base interactions energy: -113.174
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.234
local terms energy: -63.961528
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -15.054
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: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -173.710632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.710632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.710632 (E_RNA)
where:
Base-Base interactions energy: -111.177
where: short stacking energy: -58.818
Base-Backbone interact. energy: -0.376
local terms energy: -62.158380
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -12.644
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: 7, replica: 2
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -182.376775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.376775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.376775 (E_RNA)
where:
Base-Base interactions energy: -115.174
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.100
local terms energy: -67.102476
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -92.816488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.816488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.816488 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -36.185
Base-Backbone interact. energy: -0.098
local terms energy: -54.499985
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -166.197249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.197249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.197249 (E_RNA)
where:
Base-Base interactions energy: -108.681
where: short stacking energy: -57.278
Base-Backbone interact. energy: 0.808
local terms energy: -58.324205
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -9.598
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: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -161.067666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.067666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.067666 (E_RNA)
where:
Base-Base interactions energy: -105.839
where: short stacking energy: -47.753
Base-Backbone interact. energy: -0.358
local terms energy: -54.870378
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -4.463
tors. eta vs tors. theta energy: -7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -242.078152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.078152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.078152 (E_RNA)
where:
Base-Base interactions energy: -164.960
where: short stacking energy: -70.878
Base-Backbone interact. energy: -0.944
local terms energy: -76.174477
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -10.578
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: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -230.825117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825117 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.308
local terms energy: -72.924174
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -194.691241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.691241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.691241 (E_RNA)
where:
Base-Base interactions energy: -122.372
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.876
local terms energy: -71.443943
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -193.257704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257704 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.002
local terms energy: -76.287595
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -185.608356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.608356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.608356 (E_RNA)
where:
Base-Base interactions energy: -127.150
where: short stacking energy: -72.038
Base-Backbone interact. energy: -0.090
local terms energy: -58.368587
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -15.914
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: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -191.237027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.237027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.237027 (E_RNA)
where:
Base-Base interactions energy: -124.238
where: short stacking energy: -66.258
Base-Backbone interact. energy: 0.984
local terms energy: -67.982806
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -186.773625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.773625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.773625 (E_RNA)
where:
Base-Base interactions energy: -120.137
where: short stacking energy: -60.085
Base-Backbone interact. energy: -0.109
local terms energy: -66.527351
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -94.344133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.344133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.344133 (E_RNA)
where:
Base-Base interactions energy: -39.451
where: short stacking energy: -30.692
Base-Backbone interact. energy: -0.431
local terms energy: -54.462136
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -163.741290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.741290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.741290 (E_RNA)
where:
Base-Base interactions energy: -98.484
where: short stacking energy: -49.152
Base-Backbone interact. energy: -0.126
local terms energy: -65.131257
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -159.625106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.625106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.625106 (E_RNA)
where:
Base-Base interactions energy: -96.548
where: short stacking energy: -45.694
Base-Backbone interact. energy: -0.057
local terms energy: -63.019926
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -237.376828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.376828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.376828 (E_RNA)
where:
Base-Base interactions energy: -168.289
where: short stacking energy: -74.803
Base-Backbone interact. energy: -0.501
local terms energy: -68.587498
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -233.198782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.198782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.198782 (E_RNA)
where:
Base-Base interactions energy: -156.805
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.474
local terms energy: -75.919814
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -195.725221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.725221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.725221 (E_RNA)
where:
Base-Base interactions energy: -125.472
where: short stacking energy: -70.567
Base-Backbone interact. energy: -0.004
local terms energy: -70.249802
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -16.579
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: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -199.381338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.381338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.381338 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.092
local terms energy: -70.546530
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -191.869014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.869014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.869014 (E_RNA)
where:
Base-Base interactions energy: -120.342
where: short stacking energy: -63.064
Base-Backbone interact. energy: -0.085
local terms energy: -71.441187
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.858
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -162.560315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.560315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.560315 (E_RNA)
where:
Base-Base interactions energy: -100.619
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.732
local terms energy: -61.209761
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -177.621325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.621325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.621325 (E_RNA)
where:
Base-Base interactions energy: -112.855
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.285
local terms energy: -64.481988
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -151.972927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.972927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.972927 (E_RNA)
where:
Base-Base interactions energy: -98.151
where: short stacking energy: -39.632
Base-Backbone interact. energy: -0.690
local terms energy: -53.131134
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -89.703558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.703558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.703558 (E_RNA)
where:
Base-Base interactions energy: -40.725
where: short stacking energy: -36.526
Base-Backbone interact. energy: -0.115
local terms energy: -48.863096
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -5.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -156.704777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.704777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.704777 (E_RNA)
where:
Base-Base interactions energy: -99.193
where: short stacking energy: -46.971
Base-Backbone interact. energy: 0.776
local terms energy: -58.287680
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -242.678369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.678369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.678369 (E_RNA)
where:
Base-Base interactions energy: -164.695
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.203
local terms energy: -77.780514
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -19.043
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: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -222.527890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.527890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.527890 (E_RNA)
where:
Base-Base interactions energy: -159.930
where: short stacking energy: -67.649
Base-Backbone interact. energy: 0.434
local terms energy: -63.031827
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -13.997
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: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -215.134366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.134366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.134366 (E_RNA)
where:
Base-Base interactions energy: -137.284
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.029
local terms energy: -77.821091
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.219
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: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -193.965770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.965770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.965770 (E_RNA)
where:
Base-Base interactions energy: -136.542
where: short stacking energy: -66.255
Base-Backbone interact. energy: -0.051
local terms energy: -57.373061
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -11.418
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: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -185.825375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.825375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.825375 (E_RNA)
where:
Base-Base interactions energy: -120.717
where: short stacking energy: -61.545
Base-Backbone interact. energy: 1.534
local terms energy: -66.641998
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -175.504553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.504553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.504553 (E_RNA)
where:
Base-Base interactions energy: -106.054
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.006
local terms energy: -69.444284
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.490
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: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -156.419127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.419127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.419127 (E_RNA)
where:
Base-Base interactions energy: -103.269
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.299
local terms energy: -52.851099
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -3.957
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -172.664199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.664199 (E_RNA)
where:
Base-Base interactions energy: -110.377
where: short stacking energy: -56.110
Base-Backbone interact. energy: -0.184
local terms energy: -62.103609
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -13.991
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: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -170.839155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.839155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.839155 (E_RNA)
where:
Base-Base interactions energy: -108.532
where: short stacking energy: -51.950
Base-Backbone interact. energy: -0.781
local terms energy: -61.526766
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -85.388208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.388208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.388208 (E_RNA)
where:
Base-Base interactions energy: -38.968
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.338
local terms energy: -46.081863
where:
bonds (distance) C4'-P energy: -6.000
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -5.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -240.101357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.101357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.101357 (E_RNA)
where:
Base-Base interactions energy: -161.674
where: short stacking energy: -78.321
Base-Backbone interact. energy: -0.204
local terms energy: -78.223170
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -225.016950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.016950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.016950 (E_RNA)
where:
Base-Base interactions energy: -157.284
where: short stacking energy: -73.000
Base-Backbone interact. energy: -0.397
local terms energy: -67.335523
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -205.809226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.809226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.809226 (E_RNA)
where:
Base-Base interactions energy: -135.635
where: short stacking energy: -68.771
Base-Backbone interact. energy: -0.397
local terms energy: -69.776880
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.644
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: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -184.896795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.896795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.896795 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.133
local terms energy: -58.873401
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -10.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -179.896268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.896268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.896268 (E_RNA)
where:
Base-Base interactions energy: -114.140
where: short stacking energy: -52.457
Base-Backbone interact. energy: 0.137
local terms energy: -65.893440
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -13.660
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: 333
Temperature: 1.150000
Total energy: -178.197915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197915 (E_RNA)
where:
Base-Base interactions energy: -115.494
where: short stacking energy: -60.828
Base-Backbone interact. energy: -0.149
local terms energy: -62.554313
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -174.308467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.308467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.308467 (E_RNA)
where:
Base-Base interactions energy: -116.133
where: short stacking energy: -54.503
Base-Backbone interact. energy: -0.094
local terms energy: -58.082152
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -170.897000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.897000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.897000 (E_RNA)
where:
Base-Base interactions energy: -117.475
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.151
local terms energy: -53.271711
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -170.489086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.489086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.489086 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -53.561
Base-Backbone interact. energy: -0.301
local terms energy: -58.595239
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -12.711
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -97.639017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.639017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.639017 (E_RNA)
where:
Base-Base interactions energy: -54.382
where: short stacking energy: -22.088
Base-Backbone interact. energy: -0.608
local terms energy: -42.649402
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -238.093937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.093937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093937 (E_RNA)
where:
Base-Base interactions energy: -163.462
where: short stacking energy: -73.976
Base-Backbone interact. energy: -0.194
local terms energy: -74.437345
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -232.106458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.106458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.106458 (E_RNA)
where:
Base-Base interactions energy: -160.447
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.140
local terms energy: -71.519981
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -192.833523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.833523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.833523 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.179
local terms energy: -65.885150
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -198.158265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.158265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.158265 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.838
local terms energy: -63.685297
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.010
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: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -207.887149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.887149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.887149 (E_RNA)
where:
Base-Base interactions energy: -134.498
where: short stacking energy: -72.570
Base-Backbone interact. energy: -0.046
local terms energy: -73.343169
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -182.852498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.852498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.852498 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.073
local terms energy: -68.256163
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -176.378989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.378989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.378989 (E_RNA)
where:
Base-Base interactions energy: -111.254
where: short stacking energy: -57.455
Base-Backbone interact. energy: 2.947
local terms energy: -68.071868
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -176.361518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.361518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.361518 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.040
local terms energy: -61.412204
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -176.615085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.615085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.615085 (E_RNA)
where:
Base-Base interactions energy: -115.251
where: short stacking energy: -62.181
Base-Backbone interact. energy: -0.416
local terms energy: -60.948234
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -117.310859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.310859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.310859 (E_RNA)
where:
Base-Base interactions energy: -72.188
where: short stacking energy: -32.547
Base-Backbone interact. energy: -0.525
local terms energy: -44.598664
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -0.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -232.916075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.916075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916075 (E_RNA)
where:
Base-Base interactions energy: -158.324
where: short stacking energy: -80.474
Base-Backbone interact. energy: -0.391
local terms energy: -74.200421
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.152
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: 2, replica: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -239.002335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.002335 (E_RNA)
where:
Base-Base interactions energy: -165.020
where: short stacking energy: -81.490
Base-Backbone interact. energy: -0.224
local terms energy: -73.758105
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -11.692
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: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -193.357724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.357724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.357724 (E_RNA)
where:
Base-Base interactions energy: -125.748
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.020
local terms energy: -67.589711
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -189.968392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.968392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.968392 (E_RNA)
where:
Base-Base interactions energy: -119.380
where: short stacking energy: -68.343
Base-Backbone interact. energy: -0.094
local terms energy: -70.494295
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -189.933964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933964 (E_RNA)
where:
Base-Base interactions energy: -125.772
where: short stacking energy: -59.083
Base-Backbone interact. energy: 0.099
local terms energy: -64.260932
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -182.481588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.481588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.481588 (E_RNA)
where:
Base-Base interactions energy: -118.968
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.012
local terms energy: -63.501384
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -185.234271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.234271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.234271 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -60.542
Base-Backbone interact. energy: 0.662
local terms energy: -56.027379
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -17.244
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: 7
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -157.203618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.203618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.203618 (E_RNA)
where:
Base-Base interactions energy: -100.785
where: short stacking energy: -45.917
Base-Backbone interact. energy: -1.229
local terms energy: -55.189594
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -6.432
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: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -152.021654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.021654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.021654 (E_RNA)
where:
Base-Base interactions energy: -96.047
where: short stacking energy: -40.083
Base-Backbone interact. energy: 0.924
local terms energy: -56.899007
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -79.303095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.303095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.303095 (E_RNA)
where:
Base-Base interactions energy: -28.927
where: short stacking energy: -28.520
Base-Backbone interact. energy: -1.260
local terms energy: -49.116325
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -239.680569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.680569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.680569 (E_RNA)
where:
Base-Base interactions energy: -162.371
where: short stacking energy: -75.603
Base-Backbone interact. energy: -1.293
local terms energy: -76.017016
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -15.958
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: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -224.403375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.403375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.403375 (E_RNA)
where:
Base-Base interactions energy: -156.788
where: short stacking energy: -73.897
Base-Backbone interact. energy: -0.745
local terms energy: -66.870239
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -200.393781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.393781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.393781 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.123
local terms energy: -68.767911
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -14.591
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: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -198.070191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.070191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.070191 (E_RNA)
where:
Base-Base interactions energy: -132.343
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.121
local terms energy: -65.606696
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -175.535322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.535322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.535322 (E_RNA)
where:
Base-Base interactions energy: -115.596
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.418
local terms energy: -59.521871
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -179.987082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987082 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.563
local terms energy: -53.982722
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -182.585478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.585478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.585478 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.652
local terms energy: -69.592106
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -166.731614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.731614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.731614 (E_RNA)
where:
Base-Base interactions energy: -103.995
where: short stacking energy: -50.700
Base-Backbone interact. energy: -0.024
local terms energy: -62.712618
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -9.586
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: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -172.297956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.297956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.297956 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.046
local terms energy: -55.151747
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -72.678637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.678637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.678637 (E_RNA)
where:
Base-Base interactions energy: -21.121
where: short stacking energy: -21.121
Base-Backbone interact. energy: -0.600
local terms energy: -50.957826
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -235.942189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.942189 (E_RNA)
where:
Base-Base interactions energy: -174.066
where: short stacking energy: -74.102
Base-Backbone interact. energy: -0.298
local terms energy: -61.578154
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.270
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: 2, replica: 10
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -235.931721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.931721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.931721 (E_RNA)
where:
Base-Base interactions energy: -165.454
where: short stacking energy: -70.651
Base-Backbone interact. energy: -1.088
local terms energy: -69.389409
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -193.712847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.712847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.712847 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -67.917
Base-Backbone interact. energy: -0.314
local terms energy: -70.819696
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.256
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: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -199.665239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.665239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.665239 (E_RNA)
where:
Base-Base interactions energy: -133.292
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.098
local terms energy: -66.275647
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -195.208262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.208262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.208262 (E_RNA)
where:
Base-Base interactions energy: -123.898
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.286
local terms energy: -71.024103
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -171.210742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.210742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.210742 (E_RNA)
where:
Base-Base interactions energy: -106.837
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.934
local terms energy: -63.439859
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -173.919397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.919397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.919397 (E_RNA)
where:
Base-Base interactions energy: -119.880
where: short stacking energy: -56.966
Base-Backbone interact. energy: -0.087
local terms energy: -53.952356
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -174.609667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.609667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.609667 (E_RNA)
where:
Base-Base interactions energy: -118.077
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.011
local terms energy: -56.522095
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -8.951
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: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -141.153788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.153788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.153788 (E_RNA)
where:
Base-Base interactions energy: -91.507
where: short stacking energy: -39.870
Base-Backbone interact. energy: -0.955
local terms energy: -48.691550
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -3.868
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: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -87.711077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711077 (E_RNA)
where:
Base-Base interactions energy: -34.402
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.050
local terms energy: -53.258355
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -3.321
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: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -233.895535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.895535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.895535 (E_RNA)
where:
Base-Base interactions energy: -155.833
where: short stacking energy: -75.163
Base-Backbone interact. energy: -0.365
local terms energy: -77.697369
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -10.578
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: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -225.768937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.768937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.768937 (E_RNA)
where:
Base-Base interactions energy: -161.373
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.513
local terms energy: -63.882554
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -195.637816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.637816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.637816 (E_RNA)
where:
Base-Base interactions energy: -125.376
where: short stacking energy: -60.426
Base-Backbone interact. energy: 1.884
local terms energy: -72.145500
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -16.346
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: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -186.722426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.722426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.722426 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.504
local terms energy: -65.492598
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -198.100781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.100781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.100781 (E_RNA)
where:
Base-Base interactions energy: -134.547
where: short stacking energy: -67.742
Base-Backbone interact. energy: -0.004
local terms energy: -63.550036
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: -16.288
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: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -181.280930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.280930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.280930 (E_RNA)
where:
Base-Base interactions energy: -120.272
where: short stacking energy: -50.617
Base-Backbone interact. energy: -0.163
local terms energy: -60.845721
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -169.653053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.653053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.653053 (E_RNA)
where:
Base-Base interactions energy: -103.203
where: short stacking energy: -52.245
Base-Backbone interact. energy: 0.051
local terms energy: -66.501723
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -176.411490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.411490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.411490 (E_RNA)
where:
Base-Base interactions energy: -108.217
where: short stacking energy: -51.467
Base-Backbone interact. energy: -0.632
local terms energy: -67.561779
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -90.905347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.905347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.905347 (E_RNA)
where:
Base-Base interactions energy: -36.128
where: short stacking energy: -34.021
Base-Backbone interact. energy: -0.004
local terms energy: -54.773615
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -7.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -134.748796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.748796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.748796 (E_RNA)
where:
Base-Base interactions energy: -86.089
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.144
local terms energy: -48.516466
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -6.515
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: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -239.910681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.910681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.910681 (E_RNA)
where:
Base-Base interactions energy: -170.627
where: short stacking energy: -75.299
Base-Backbone interact. energy: -0.441
local terms energy: -68.842930
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -10.721
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: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -207.320944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.320944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320944 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.405
local terms energy: -75.771009
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -235.064982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.064982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.064982 (E_RNA)
where:
Base-Base interactions energy: -159.477
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.716
local terms energy: -74.872546
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -197.331045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.331045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.331045 (E_RNA)
where:
Base-Base interactions energy: -125.045
where: short stacking energy: -68.836
Base-Backbone interact. energy: -0.021
local terms energy: -72.265311
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -9.956
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: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -189.906157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.906157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.906157 (E_RNA)
where:
Base-Base interactions energy: -124.288
where: short stacking energy: -57.654
Base-Backbone interact. energy: -0.786
local terms energy: -64.832333
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -184.841718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.841718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.841718 (E_RNA)
where:
Base-Base interactions energy: -128.407
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.362
local terms energy: -56.072237
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -6.490
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -170.696058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.696058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.696058 (E_RNA)
where:
Base-Base interactions energy: -104.878
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.016
local terms energy: -65.801763
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -12.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -166.458250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.458250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.458250 (E_RNA)
where:
Base-Base interactions energy: -105.154
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.866
local terms energy: -60.438945
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -10.503
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: 5
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -91.231918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.231918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.231918 (E_RNA)
where:
Base-Base interactions energy: -33.272
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.177
local terms energy: -57.783083
where:
bonds (distance) C4'-P energy: -7.925
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -147.222246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.222246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.222246 (E_RNA)
where:
Base-Base interactions energy: -92.217
where: short stacking energy: -33.737
Base-Backbone interact. energy: -0.530
local terms energy: -54.474804
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -237.728178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.728178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.728178 (E_RNA)
where:
Base-Base interactions energy: -165.649
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.644
local terms energy: -71.435612
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -201.818556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.818556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.818556 (E_RNA)
where:
Base-Base interactions energy: -139.544
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.400
local terms energy: -61.874573
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -229.434284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.434284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.434284 (E_RNA)
where:
Base-Base interactions energy: -155.908
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.588
local terms energy: -72.938274
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -18.442
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -202.953254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.953254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.953254 (E_RNA)
where:
Base-Base interactions energy: -131.781
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.001
local terms energy: -71.170419
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -177.945515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.945515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.945515 (E_RNA)
where:
Base-Base interactions energy: -121.284
where: short stacking energy: -53.301
Base-Backbone interact. energy: -0.163
local terms energy: -56.498053
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -178.544045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.544045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.544045 (E_RNA)
where:
Base-Base interactions energy: -117.085
where: short stacking energy: -56.992
Base-Backbone interact. energy: -0.148
local terms energy: -61.310775
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -9.751
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -175.255836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.255836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.255836 (E_RNA)
where:
Base-Base interactions energy: -116.659
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.018
local terms energy: -58.579368
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -3.895
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: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -166.361707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.361707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.361707 (E_RNA)
where:
Base-Base interactions energy: -103.386
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.110
local terms energy: -62.866190
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -153.894615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.894615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.894615 (E_RNA)
where:
Base-Base interactions energy: -94.303
where: short stacking energy: -53.621
Base-Backbone interact. energy: -0.006
local terms energy: -59.586032
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -86.821823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821823 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.338
local terms energy: -45.258701
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -2.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -233.537610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.537610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.537610 (E_RNA)
where:
Base-Base interactions energy: -164.471
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.652
local terms energy: -68.413944
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -233.734200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.734200 (E_RNA)
where:
Base-Base interactions energy: -161.188
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.791
local terms energy: -71.755257
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -187.991915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.991915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.991915 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.016
local terms energy: -68.099510
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -212.829730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.829730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.829730 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.318
local terms energy: -68.632000
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -15.678
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: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -201.062320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.062320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.062320 (E_RNA)
where:
Base-Base interactions energy: -121.622
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.032
local terms energy: -79.408731
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -19.729
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: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -183.922949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.922949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.922949 (E_RNA)
where:
Base-Base interactions energy: -136.065
where: short stacking energy: -66.697
Base-Backbone interact. energy: -0.010
local terms energy: -47.847431
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -0.486
tors. eta vs tors. theta energy: -16.736
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: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -170.232050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.232050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.232050 (E_RNA)
where:
Base-Base interactions energy: -113.858
where: short stacking energy: -55.865
Base-Backbone interact. energy: 0.427
local terms energy: -56.801081
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -10.040
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: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -169.991799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.991799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.991799 (E_RNA)
where:
Base-Base interactions energy: -109.392
where: short stacking energy: -52.965
Base-Backbone interact. energy: -0.199
local terms energy: -60.400958
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -138.436154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.436154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.436154 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.311
local terms energy: -47.538597
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -9.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -81.644687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644687 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -33.024
Base-Backbone interact. energy: 0.287
local terms energy: -49.043048
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -242.630649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.630649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.630649 (E_RNA)
where:
Base-Base interactions energy: -160.153
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.679
local terms energy: -81.798903
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -229.856361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.856361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.856361 (E_RNA)
where:
Base-Base interactions energy: -163.189
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.489
local terms energy: -66.177778
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -202.656726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.656726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.656726 (E_RNA)
where:
Base-Base interactions energy: -135.003
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.442
local terms energy: -67.212065
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.516
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -198.824244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.824244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.824244 (E_RNA)
where:
Base-Base interactions energy: -124.019
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.022
local terms energy: -74.783447
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -179.922408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.922408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.922408 (E_RNA)
where:
Base-Base interactions energy: -117.614
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.193
local terms energy: -62.115961
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -3.905
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -184.220764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.220764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.220764 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -58.493
Base-Backbone interact. energy: 0.370
local terms energy: -59.016209
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -179.696609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.696609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.696609 (E_RNA)
where:
Base-Base interactions energy: -121.038
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.541
local terms energy: -58.117809
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.379
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: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -156.630869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.630869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.630869 (E_RNA)
where:
Base-Base interactions energy: -96.501
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.170
local terms energy: -59.959482
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -7.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -155.427912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.427912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.427912 (E_RNA)
where:
Base-Base interactions energy: -96.012
where: short stacking energy: -39.585
Base-Backbone interact. energy: -0.733
local terms energy: -58.683563
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -80.757903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.757903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.757903 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.150
local terms energy: -42.100678
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -244.966163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.966163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.966163 (E_RNA)
where:
Base-Base interactions energy: -180.374
where: short stacking energy: -61.898
Base-Backbone interact. energy: 0.036
local terms energy: -64.628387
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -3.860
tors. eta vs tors. theta energy: -15.964
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -233.002278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.002278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.002278 (E_RNA)
where:
Base-Base interactions energy: -157.475
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.672
local terms energy: -74.855682
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -194.456743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.456743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456743 (E_RNA)
where:
Base-Base interactions energy: -119.770
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.599
local terms energy: -74.087523
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -194.694871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.694871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.694871 (E_RNA)
where:
Base-Base interactions energy: -122.387
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.021
local terms energy: -72.287045
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -182.125239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.125239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.125239 (E_RNA)
where:
Base-Base interactions energy: -114.768
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.378
local terms energy: -66.979120
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -15.486
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: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -195.996435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.996435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.996435 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -59.786
Base-Backbone interact. energy: -0.174
local terms energy: -65.537440
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -14.279
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: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -169.155485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155485 (E_RNA)
where:
Base-Base interactions energy: -103.120
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.589
local terms energy: -65.446504
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.329
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: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -165.455594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.455594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.455594 (E_RNA)
where:
Base-Base interactions energy: -105.701
where: short stacking energy: -50.607
Base-Backbone interact. energy: 0.197
local terms energy: -59.951833
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -12.891
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: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -169.136494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.136494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.136494 (E_RNA)
where:
Base-Base interactions energy: -113.050
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.438
local terms energy: -55.647931
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -9.707
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: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -94.531914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.531914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.531914 (E_RNA)
where:
Base-Base interactions energy: -43.663
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.315
local terms energy: -50.553714
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.762
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -240.144905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.144905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.144905 (E_RNA)
where:
Base-Base interactions energy: -163.540
where: short stacking energy: -73.361
Base-Backbone interact. energy: -0.677
local terms energy: -75.928560
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -228.536952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.536952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.536952 (E_RNA)
where:
Base-Base interactions energy: -149.745
where: short stacking energy: -65.138
Base-Backbone interact. energy: -1.936
local terms energy: -76.855969
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -197.239978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.239978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.239978 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.045
local terms energy: -70.733958
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -13.290
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: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -186.214521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.214521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.214521 (E_RNA)
where:
Base-Base interactions energy: -117.957
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.069
local terms energy: -68.188870
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -198.755083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.755083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.755083 (E_RNA)
where:
Base-Base interactions energy: -123.886
where: short stacking energy: -71.787
Base-Backbone interact. energy: -0.195
local terms energy: -74.674297
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -188.897722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.897722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.897722 (E_RNA)
where:
Base-Base interactions energy: -123.841
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.176
local terms energy: -64.880475
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -173.784656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.784656 (E_RNA)
where:
Base-Base interactions energy: -113.839
where: short stacking energy: -47.250
Base-Backbone interact. energy: -0.541
local terms energy: -59.404705
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -170.677530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.677530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.677530 (E_RNA)
where:
Base-Base interactions energy: -110.853
where: short stacking energy: -49.172
Base-Backbone interact. energy: -1.790
local terms energy: -58.034203
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -9.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -162.966055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.966055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.966055 (E_RNA)
where:
Base-Base interactions energy: -102.851
where: short stacking energy: -49.348
Base-Backbone interact. energy: 0.280
local terms energy: -60.394780
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -90.628551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.628551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.628551 (E_RNA)
where:
Base-Base interactions energy: -37.207
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.104
local terms energy: -53.318224
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -238.836825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.836825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.836825 (E_RNA)
where:
Base-Base interactions energy: -159.091
where: short stacking energy: -68.702
Base-Backbone interact. energy: 0.092
local terms energy: -79.837870
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -206.917994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.917994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.917994 (E_RNA)
where:
Base-Base interactions energy: -129.264
where: short stacking energy: -77.317
Base-Backbone interact. energy: -0.333
local terms energy: -77.320891
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -20.325
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: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -230.379000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.379000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.379000 (E_RNA)
where:
Base-Base interactions energy: -155.180
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.145
local terms energy: -75.053202
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -194.231095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.231095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.231095 (E_RNA)
where:
Base-Base interactions energy: -121.828
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.356
local terms energy: -72.046454
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -14.346
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: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -182.147925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.147925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.147925 (E_RNA)
where:
Base-Base interactions energy: -119.273
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.128
local terms energy: -62.746766
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -173.407232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.407232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.407232 (E_RNA)
where:
Base-Base interactions energy: -116.988
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.201
local terms energy: -56.218625
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.318
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: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -181.582578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.582578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.582578 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -64.966
Base-Backbone interact. energy: 2.850
local terms energy: -61.174683
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -162.837262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.837262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.837262 (E_RNA)
where:
Base-Base interactions energy: -104.050
where: short stacking energy: -51.591
Base-Backbone interact. energy: -0.947
local terms energy: -57.840629
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -155.973021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.973021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.973021 (E_RNA)
where:
Base-Base interactions energy: -101.240
where: short stacking energy: -53.346
Base-Backbone interact. energy: -0.100
local terms energy: -54.632956
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -80.747661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747661 (E_RNA)
where:
Base-Base interactions energy: -49.833
where: short stacking energy: -21.671
Base-Backbone interact. energy: 1.090
local terms energy: -32.004017
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -1.846
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -239.615758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.615758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.615758 (E_RNA)
where:
Base-Base interactions energy: -162.618
where: short stacking energy: -77.899
Base-Backbone interact. energy: -0.482
local terms energy: -76.514936
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -210.661627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.661627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661627 (E_RNA)
where:
Base-Base interactions energy: -131.100
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.006
local terms energy: -79.555464
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -19.824
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: 346
Temperature: 1.000000
Total energy: -228.193079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.193079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.193079 (E_RNA)
where:
Base-Base interactions energy: -157.147
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.909
local terms energy: -70.136951
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -18.591
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: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -180.604389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.604389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.604389 (E_RNA)
where:
Base-Base interactions energy: -119.563
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.033
local terms energy: -61.007910
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -13.695
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -185.116267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116267 (E_RNA)
where:
Base-Base interactions energy: -119.880
where: short stacking energy: -47.878
Base-Backbone interact. energy: -0.249
local terms energy: -64.986551
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -12.154
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: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -181.492402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.492402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.492402 (E_RNA)
where:
Base-Base interactions energy: -126.413
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.598
local terms energy: -54.481198
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -7.638
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -178.245811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.245811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.245811 (E_RNA)
where:
Base-Base interactions energy: -117.754
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.124
local terms energy: -60.367158
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -174.493963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493963 (E_RNA)
where:
Base-Base interactions energy: -117.349
where: short stacking energy: -54.487
Base-Backbone interact. energy: -0.243
local terms energy: -56.902150
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -8.112
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -164.199888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.199888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.199888 (E_RNA)
where:
Base-Base interactions energy: -106.763
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.097
local terms energy: -57.339810
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -11.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -86.042429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042429 (E_RNA)
where:
Base-Base interactions energy: -42.043
where: short stacking energy: -17.124
Base-Backbone interact. energy: -0.294
local terms energy: -43.705330
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: 3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -239.480539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.480539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.480539 (E_RNA)
where:
Base-Base interactions energy: -167.399
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.701
local terms energy: -71.380482
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -16.745
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: 10
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -217.735667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.735667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.735667 (E_RNA)
where:
Base-Base interactions energy: -148.383
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.171
local terms energy: -69.181058
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -12.988
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: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -198.529386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.529386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.529386 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.040
local terms energy: -70.141894
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -14.712
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -194.781962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.781962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.781962 (E_RNA)
where:
Base-Base interactions energy: -119.808
where: short stacking energy: -59.636
Base-Backbone interact. energy: 0.020
local terms energy: -74.994065
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -16.424
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: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -179.354456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.354456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.354456 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -59.914
Base-Backbone interact. energy: 0.433
local terms energy: -62.743226
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -174.433915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.433915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.433915 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.308
local terms energy: -68.521836
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -12.425
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: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -186.021463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.021463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021463 (E_RNA)
where:
Base-Base interactions energy: -112.363
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.004
local terms energy: -73.654213
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -167.506912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.506912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.506912 (E_RNA)
where:
Base-Base interactions energy: -107.347
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.503
local terms energy: -59.656648
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -160.651961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.651961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.651961 (E_RNA)
where:
Base-Base interactions energy: -102.138
where: short stacking energy: -46.633
Base-Backbone interact. energy: 0.060
local terms energy: -58.573431
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -85.392163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392163 (E_RNA)
where:
Base-Base interactions energy: -31.345
where: short stacking energy: -31.345
Base-Backbone interact. energy: -0.037
local terms energy: -54.010004
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -238.966165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.966165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.966165 (E_RNA)
where:
Base-Base interactions energy: -162.196
where: short stacking energy: -70.641
Base-Backbone interact. energy: -0.190
local terms energy: -76.580687
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -19.882
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: 348
Temperature: 0.950000
Total energy: -232.307968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.307968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.307968 (E_RNA)
where:
Base-Base interactions energy: -158.297
where: short stacking energy: -67.268
Base-Backbone interact. energy: -0.931
local terms energy: -73.079796
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -18.126
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: 2
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -196.813992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.813992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813992 (E_RNA)
where:
Base-Base interactions energy: -125.084
where: short stacking energy: -65.952
Base-Backbone interact. energy: 2.217
local terms energy: -73.946485
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -193.246476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.246476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.246476 (E_RNA)
where:
Base-Base interactions energy: -131.810
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.372
local terms energy: -61.065120
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -177.703483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.703483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.703483 (E_RNA)
where:
Base-Base interactions energy: -115.721
where: short stacking energy: -53.910
Base-Backbone interact. energy: 0.684
local terms energy: -62.665850
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -10.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -189.491108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.491108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491108 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -60.562
Base-Backbone interact. energy: -0.148
local terms energy: -69.240291
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -171.736857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.736857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.736857 (E_RNA)
where:
Base-Base interactions energy: -106.268
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.026
local terms energy: -65.442715
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -12.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -173.568015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.568015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.568015 (E_RNA)
where:
Base-Base interactions energy: -110.526
where: short stacking energy: -55.311
Base-Backbone interact. energy: -0.008
local terms energy: -63.033512
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -164.800190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.800190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.800190 (E_RNA)
where:
Base-Base interactions energy: -104.436
where: short stacking energy: -49.846
Base-Backbone interact. energy: -0.457
local terms energy: -59.907161
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -8.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -86.333091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.333091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.333091 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -34.292
Base-Backbone interact. energy: 0.666
local terms energy: -47.663776
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -236.397671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.397671 (E_RNA)
where:
Base-Base interactions energy: -164.980
where: short stacking energy: -76.793
Base-Backbone interact. energy: -0.466
local terms energy: -70.951668
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -237.928358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.928358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.928358 (E_RNA)
where:
Base-Base interactions energy: -162.965
where: short stacking energy: -70.885
Base-Backbone interact. energy: -0.450
local terms energy: -74.513952
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -191.949543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.949543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.949543 (E_RNA)
where:
Base-Base interactions energy: -130.183
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.337
local terms energy: -61.429455
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -198.235982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.235982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.235982 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -52.742
Base-Backbone interact. energy: -0.460
local terms energy: -57.155686
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -183.344356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.344356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.344356 (E_RNA)
where:
Base-Base interactions energy: -112.293
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.012
local terms energy: -71.039458
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.707
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: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -183.468219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.468219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.468219 (E_RNA)
where:
Base-Base interactions energy: -118.068
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.011
local terms energy: -65.388687
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -5.734
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: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -172.850510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.850510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.850510 (E_RNA)
where:
Base-Base interactions energy: -121.996
where: short stacking energy: -53.771
Base-Backbone interact. energy: -0.551
local terms energy: -50.304080
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -7.078
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: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -175.378736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.378736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.378736 (E_RNA)
where:
Base-Base interactions energy: -106.141
where: short stacking energy: -47.436
Base-Backbone interact. energy: 0.972
local terms energy: -70.209756
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.716
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: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -165.592571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.592571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.592571 (E_RNA)
where:
Base-Base interactions energy: -110.699
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.500
local terms energy: -54.393730
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -88.556590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.556590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.556590 (E_RNA)
where:
Base-Base interactions energy: -40.322
where: short stacking energy: -33.091
Base-Backbone interact. energy: 0.184
local terms energy: -48.418757
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -4.283
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -229.110905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.110905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.110905 (E_RNA)
where:
Base-Base interactions energy: -158.079
where: short stacking energy: -58.273
Base-Backbone interact. energy: -0.207
local terms energy: -70.825367
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -232.852100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.852100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.852100 (E_RNA)
where:
Base-Base interactions energy: -159.866
where: short stacking energy: -74.287
Base-Backbone interact. energy: -0.409
local terms energy: -72.577126
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -222.530101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.530101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530101 (E_RNA)
where:
Base-Base interactions energy: -159.131
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.012
local terms energy: -63.387634
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -12.160
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: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -184.739584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.739584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.739584 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -54.373
Base-Backbone interact. energy: -0.067
local terms energy: -63.441613
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -185.509093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.509093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.509093 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -58.363
Base-Backbone interact. energy: -0.650
local terms energy: -63.965407
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -180.636406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636406 (E_RNA)
where:
Base-Base interactions energy: -115.866
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.072
local terms energy: -64.697660
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -173.389499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.389499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.389499 (E_RNA)
where:
Base-Base interactions energy: -112.790
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.166
local terms energy: -60.433214
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -10.438
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -153.155211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.155211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.155211 (E_RNA)
where:
Base-Base interactions energy: -95.229
where: short stacking energy: -41.449
Base-Backbone interact. energy: -0.003
local terms energy: -57.923216
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -6.762
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: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -172.475368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.475368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.475368 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -61.988
Base-Backbone interact. energy: -0.000
local terms energy: -59.749855
where:
bonds (distance) C4'-P energy: -8.925
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -88.891771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.891771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.891771 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.101
local terms energy: -53.437766
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -0.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -236.230216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.230216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.230216 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -74.143
Base-Backbone interact. energy: -1.146
local terms energy: -75.242063
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -241.095616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.095616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.095616 (E_RNA)
where:
Base-Base interactions energy: -163.502
where: short stacking energy: -72.206
Base-Backbone interact. energy: -0.541
local terms energy: -77.051766
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -210.126742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.126742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.126742 (E_RNA)
where:
Base-Base interactions energy: -146.535
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.235
local terms energy: -63.356723
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -201.750422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.750422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.750422 (E_RNA)
where:
Base-Base interactions energy: -138.110
where: short stacking energy: -61.812
Base-Backbone interact. energy: -0.020
local terms energy: -63.620235
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -187.313639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.313639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.313639 (E_RNA)
where:
Base-Base interactions energy: -118.229
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.051
local terms energy: -69.033345
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -10.167
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -177.195715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.195715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.195715 (E_RNA)
where:
Base-Base interactions energy: -123.187
where: short stacking energy: -57.729
Base-Backbone interact. energy: 2.290
local terms energy: -56.298756
where:
bonds (distance) C4'-P energy: -7.389
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -174.008757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.008757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.008757 (E_RNA)
where:
Base-Base interactions energy: -112.965
where: short stacking energy: -52.278
Base-Backbone interact. energy: -0.054
local terms energy: -60.990159
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -172.180280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180280 (E_RNA)
where:
Base-Base interactions energy: -111.364
where: short stacking energy: -47.654
Base-Backbone interact. energy: -0.176
local terms energy: -60.639944
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -112.645017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.645017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.645017 (E_RNA)
where:
Base-Base interactions energy: -73.816
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.535
local terms energy: -38.294088
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.766159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.766159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.766159 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -29.811
Base-Backbone interact. energy: -0.084
local terms energy: -50.607512
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -4.851
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: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -238.778434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.778434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.778434 (E_RNA)
where:
Base-Base interactions energy: -162.479
where: short stacking energy: -79.351
Base-Backbone interact. energy: -0.323
local terms energy: -75.976592
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -233.764960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.764960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.764960 (E_RNA)
where:
Base-Base interactions energy: -161.928
where: short stacking energy: -76.291
Base-Backbone interact. energy: 2.001
local terms energy: -73.837180
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.778
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: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -193.839501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.839501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839501 (E_RNA)
where:
Base-Base interactions energy: -126.675
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.261
local terms energy: -66.903634
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -10.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -192.554025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.554025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.554025 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.038
local terms energy: -66.532198
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -13.785
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -188.064608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.064608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.064608 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.006
local terms energy: -73.564954
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -173.717265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.717265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.717265 (E_RNA)
where:
Base-Base interactions energy: -120.782
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.146
local terms energy: -52.789386
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -181.992368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.992368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.992368 (E_RNA)
where:
Base-Base interactions energy: -120.350
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.011
local terms energy: -61.631435
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -189.075618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.075618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.075618 (E_RNA)
where:
Base-Base interactions energy: -119.488
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.007
local terms energy: -69.581222
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -92.261731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.261731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.261731 (E_RNA)
where:
Base-Base interactions energy: -49.615
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.202
local terms energy: -42.444950
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -87.647506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.647506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.647506 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.052
local terms energy: -44.061353
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.140
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: 353
Temperature: 0.900000
Total energy: -238.052985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.052985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.052985 (E_RNA)
where:
Base-Base interactions energy: -160.618
where: short stacking energy: -70.682
Base-Backbone interact. energy: 0.071
local terms energy: -77.505751
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -233.851379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.851379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.851379 (E_RNA)
where:
Base-Base interactions energy: -163.016
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.210
local terms energy: -70.625898
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -198.622429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.622429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622429 (E_RNA)
where:
Base-Base interactions energy: -124.218
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.001
local terms energy: -74.402676
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.934
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: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -191.624584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.624584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.624584 (E_RNA)
where:
Base-Base interactions energy: -124.012
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.037
local terms energy: -67.575048
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -12.747
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: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -178.242086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.242086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.242086 (E_RNA)
where:
Base-Base interactions energy: -109.727
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.121
local terms energy: -68.394280
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -166.933869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.933869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.933869 (E_RNA)
where:
Base-Base interactions energy: -105.255
where: short stacking energy: -50.434
Base-Backbone interact. energy: -0.086
local terms energy: -61.593100
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -166.881203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.881203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.881203 (E_RNA)
where:
Base-Base interactions energy: -100.979
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.833
local terms energy: -65.068555
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -181.908017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.908017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.908017 (E_RNA)
where:
Base-Base interactions energy: -116.110
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.494
local terms energy: -65.304095
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -97.819992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.819992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.819992 (E_RNA)
where:
Base-Base interactions energy: -52.149
where: short stacking energy: -37.318
Base-Backbone interact. energy: -0.224
local terms energy: -45.446265
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -78.524750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.524750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.524750 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.451
local terms energy: -43.220152
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -5.708
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: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -241.981165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.981165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.981165 (E_RNA)
where:
Base-Base interactions energy: -168.522
where: short stacking energy: -72.932
Base-Backbone interact. energy: -1.172
local terms energy: -72.287419
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -17.563
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: 354
Temperature: 0.950000
Total energy: -235.946581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.946581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.946581 (E_RNA)
where:
Base-Base interactions energy: -156.812
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.304
local terms energy: -78.830317
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -190.413596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.413596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.413596 (E_RNA)
where:
Base-Base interactions energy: -118.569
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.251
local terms energy: -71.594424
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -194.000075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.000075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.000075 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -51.193
Base-Backbone interact. energy: -0.016
local terms energy: -62.735987
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -181.734814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.734814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.734814 (E_RNA)
where:
Base-Base interactions energy: -119.561
where: short stacking energy: -61.627
Base-Backbone interact. energy: 0.016
local terms energy: -62.189851
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -166.475058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.475058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.475058 (E_RNA)
where:
Base-Base interactions energy: -102.420
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.757
local terms energy: -63.297666
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -173.507097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.507097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.507097 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -52.389
Base-Backbone interact. energy: -0.174
local terms energy: -56.325791
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -167.481262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.481262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.481262 (E_RNA)
where:
Base-Base interactions energy: -106.070
where: short stacking energy: -40.558
Base-Backbone interact. energy: -0.283
local terms energy: -61.127670
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -12.254
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: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -95.227286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.227286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.227286 (E_RNA)
where:
Base-Base interactions energy: -50.791
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.119
local terms energy: -44.316721
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -10.201
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: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -88.491678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491678 (E_RNA)
where:
Base-Base interactions energy: -38.463
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.702
local terms energy: -49.326347
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -7.373
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -242.209391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.209391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.209391 (E_RNA)
where:
Base-Base interactions energy: -166.218
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.055
local terms energy: -75.935687
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -16.985
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: 355
Temperature: 0.950000
Total energy: -230.578754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.578754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.578754 (E_RNA)
where:
Base-Base interactions energy: -156.352
where: short stacking energy: -79.215
Base-Backbone interact. energy: -0.304
local terms energy: -73.922912
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.728
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: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -189.696154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.696154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.696154 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.050
local terms energy: -60.684474
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -8.792
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -218.352027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.352027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.352027 (E_RNA)
where:
Base-Base interactions energy: -163.893
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.538
local terms energy: -53.921290
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -7.082
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -180.514280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.514280 (E_RNA)
where:
Base-Base interactions energy: -110.997
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.005
local terms energy: -69.512103
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -176.272045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.272045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.272045 (E_RNA)
where:
Base-Base interactions energy: -114.549
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.192
local terms energy: -61.531972
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -14.974
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: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -172.975481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.975481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.975481 (E_RNA)
where:
Base-Base interactions energy: -110.013
where: short stacking energy: -53.083
Base-Backbone interact. energy: -0.485
local terms energy: -62.477481
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -180.582618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.582618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.582618 (E_RNA)
where:
Base-Base interactions energy: -120.109
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.105
local terms energy: -60.368590
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -7.723
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -83.913180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.913180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.913180 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -41.479
Base-Backbone interact. energy: -0.354
local terms energy: -41.778810
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -83.265308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.265308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.265308 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -28.992
Base-Backbone interact. energy: 1.642
local terms energy: -55.825651
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -245.992358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.992358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.992358 (E_RNA)
where:
Base-Base interactions energy: -171.760
where: short stacking energy: -72.352
Base-Backbone interact. energy: -0.261
local terms energy: -73.971222
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -231.418152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.418152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.418152 (E_RNA)
where:
Base-Base interactions energy: -161.081
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.440
local terms energy: -69.897085
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -215.396176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.396176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.396176 (E_RNA)
where:
Base-Base interactions energy: -149.317
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.304
local terms energy: -65.775010
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -194.470960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.470960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.470960 (E_RNA)
where:
Base-Base interactions energy: -135.423
where: short stacking energy: -63.205
Base-Backbone interact. energy: 0.481
local terms energy: -59.529345
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -182.849153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.849153 (E_RNA)
where:
Base-Base interactions energy: -118.862
where: short stacking energy: -59.097
Base-Backbone interact. energy: -0.188
local terms energy: -63.799503
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -11.297
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -184.478165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.478165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.478165 (E_RNA)
where:
Base-Base interactions energy: -121.218
where: short stacking energy: -52.599
Base-Backbone interact. energy: -0.853
local terms energy: -62.407315
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -164.369150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.369150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.369150 (E_RNA)
where:
Base-Base interactions energy: -99.150
where: short stacking energy: -46.854
Base-Backbone interact. energy: -0.247
local terms energy: -64.972246
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -11.827
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: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -163.793166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.793166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.793166 (E_RNA)
where:
Base-Base interactions energy: -100.142
where: short stacking energy: -43.708
Base-Backbone interact. energy: -0.084
local terms energy: -63.566572
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -96.821367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.821367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.821367 (E_RNA)
where:
Base-Base interactions energy: -49.782
where: short stacking energy: -47.578
Base-Backbone interact. energy: -0.063
local terms energy: -46.976390
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.036242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.036242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.036242 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.465
local terms energy: -44.498179
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -4.097
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: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -236.282307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.282307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.282307 (E_RNA)
where:
Base-Base interactions energy: -159.316
where: short stacking energy: -76.201
Base-Backbone interact. energy: -0.515
local terms energy: -76.451931
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -223.169396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.169396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.169396 (E_RNA)
where:
Base-Base interactions energy: -156.682
where: short stacking energy: -60.084
Base-Backbone interact. energy: -0.865
local terms energy: -65.621979
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -13.088
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: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -230.348772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.348772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.348772 (E_RNA)
where:
Base-Base interactions energy: -158.915
where: short stacking energy: -69.007
Base-Backbone interact. energy: 0.511
local terms energy: -71.945077
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -191.141339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.141339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.141339 (E_RNA)
where:
Base-Base interactions energy: -123.408
where: short stacking energy: -64.048
Base-Backbone interact. energy: -1.476
local terms energy: -66.256896
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -178.353740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.353740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.353740 (E_RNA)
where:
Base-Base interactions energy: -119.725
where: short stacking energy: -58.487
Base-Backbone interact. energy: -0.004
local terms energy: -58.624844
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -184.114108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.114108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.114108 (E_RNA)
where:
Base-Base interactions energy: -119.503
where: short stacking energy: -65.276
Base-Backbone interact. energy: -1.163
local terms energy: -63.448137
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -16.231
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: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -171.855214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.855214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.855214 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.048
local terms energy: -55.426530
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -167.347733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.347733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.347733 (E_RNA)
where:
Base-Base interactions energy: -105.218
where: short stacking energy: -51.264
Base-Backbone interact. energy: -0.962
local terms energy: -61.167333
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -89.778933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.778933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.778933 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.109
local terms energy: -55.914343
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -5.445
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: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.377947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.377947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.377947 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.178
local terms energy: -45.447022
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -9.147
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -233.831700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.831700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.831700 (E_RNA)
where:
Base-Base interactions energy: -164.928
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.502
local terms energy: -68.402381
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -237.991128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.991128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.991128 (E_RNA)
where:
Base-Base interactions energy: -162.950
where: short stacking energy: -80.175
Base-Backbone interact. energy: -0.397
local terms energy: -74.643784
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -199.793652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.793652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.793652 (E_RNA)
where:
Base-Base interactions energy: -131.050
where: short stacking energy: -69.902
Base-Backbone interact. energy: -0.005
local terms energy: -68.737817
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.114
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: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -227.501793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.501793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.501793 (E_RNA)
where:
Base-Base interactions energy: -155.895
where: short stacking energy: -75.304
Base-Backbone interact. energy: -0.332
local terms energy: -71.275024
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -184.403250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.403250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.403250 (E_RNA)
where:
Base-Base interactions energy: -120.787
where: short stacking energy: -55.125
Base-Backbone interact. energy: -0.087
local terms energy: -63.528910
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -12.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -188.255065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.255065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.255065 (E_RNA)
where:
Base-Base interactions energy: -128.447
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.331
local terms energy: -59.477394
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -13.537
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -180.836239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.836239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.836239 (E_RNA)
where:
Base-Base interactions energy: -121.921
where: short stacking energy: -56.509
Base-Backbone interact. energy: 1.522
local terms energy: -60.437401
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -162.884511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.884511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.884511 (E_RNA)
where:
Base-Base interactions energy: -107.656
where: short stacking energy: -56.922
Base-Backbone interact. energy: -0.092
local terms energy: -55.136890
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -87.931563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931563 (E_RNA)
where:
Base-Base interactions energy: -32.193
where: short stacking energy: -32.193
Base-Backbone interact. energy: -0.084
local terms energy: -55.654515
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -84.321123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.321123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.321123 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -38.270
Base-Backbone interact. energy: -0.060
local terms energy: -45.850951
where:
bonds (distance) C4'-P energy: -5.467
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.447
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: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -227.607929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.607929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.607929 (E_RNA)
where:
Base-Base interactions energy: -171.643
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.129
local terms energy: -55.835945
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -11.855
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: 9
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -235.922059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.922059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.922059 (E_RNA)
where:
Base-Base interactions energy: -170.079
where: short stacking energy: -66.443
Base-Backbone interact. energy: -0.191
local terms energy: -65.651792
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -200.187240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.187240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.187240 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.128
local terms energy: -67.403854
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -20.336
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: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -191.224673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.224673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224673 (E_RNA)
where:
Base-Base interactions energy: -122.118
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.029
local terms energy: -69.077272
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -14.322
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: 359
Temperature: 1.100000
Total energy: -218.723659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.723659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.723659 (E_RNA)
where:
Base-Base interactions energy: -147.360
where: short stacking energy: -72.158
Base-Backbone interact. energy: -0.198
local terms energy: -71.165402
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.482
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: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -209.849947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.849947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.849947 (E_RNA)
where:
Base-Base interactions energy: -144.486
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.656
local terms energy: -64.708137
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -178.793594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.793594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.793594 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.109
local terms energy: -66.120415
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -164.918053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.918053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.918053 (E_RNA)
where:
Base-Base interactions energy: -108.973
where: short stacking energy: -45.321
Base-Backbone interact. energy: 0.262
local terms energy: -56.206479
where:
bonds (distance) C4'-P energy: -6.714
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -82.983458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.983458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.983458 (E_RNA)
where:
Base-Base interactions energy: -29.803
where: short stacking energy: -26.423
Base-Backbone interact. energy: -0.317
local terms energy: -52.863121
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -9.975
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -79.722037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.722037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.722037 (E_RNA)
where:
Base-Base interactions energy: -27.130
where: short stacking energy: -23.506
Base-Backbone interact. energy: 0.347
local terms energy: -52.939602
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -234.567054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.567054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.567054 (E_RNA)
where:
Base-Base interactions energy: -163.224
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.213
local terms energy: -71.129415
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -233.017958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.017958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.017958 (E_RNA)
where:
Base-Base interactions energy: -162.259
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.017
local terms energy: -70.741476
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -197.594347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.594347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.594347 (E_RNA)
where:
Base-Base interactions energy: -130.091
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.011
local terms energy: -67.492895
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -186.357862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.357862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.357862 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -62.012
Base-Backbone interact. energy: -0.148
local terms energy: -59.062612
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -8.407
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -218.867370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.867370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.867370 (E_RNA)
where:
Base-Base interactions energy: -154.959
where: short stacking energy: -65.707
Base-Backbone interact. energy: -0.898
local terms energy: -63.010112
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -9.178
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -18.258
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: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -222.030330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.030330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.030330 (E_RNA)
where:
Base-Base interactions energy: -154.450
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.566
local terms energy: -67.013673
where:
bonds (distance) C4'-P energy: -7.460
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -174.601049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.601049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.601049 (E_RNA)
where:
Base-Base interactions energy: -116.576
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.253
local terms energy: -57.771763
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -161.494844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.494844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.494844 (E_RNA)
where:
Base-Base interactions energy: -104.929
where: short stacking energy: -46.595
Base-Backbone interact. energy: -0.067
local terms energy: -56.499043
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -12.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -88.277175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277175 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -25.039
Base-Backbone interact. energy: -0.529
local terms energy: -56.979072
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -2.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -152.389060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.389060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.389060 (E_RNA)
where:
Base-Base interactions energy: -94.671
where: short stacking energy: -43.172
Base-Backbone interact. energy: 0.355
local terms energy: -58.073721
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -232.145363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.145363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.145363 (E_RNA)
where:
Base-Base interactions energy: -161.384
where: short stacking energy: -68.792
Base-Backbone interact. energy: -0.520
local terms energy: -70.242042
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -200.120136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.120136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.120136 (E_RNA)
where:
Base-Base interactions energy: -124.833
where: short stacking energy: -70.729
Base-Backbone interact. energy: -0.049
local terms energy: -75.237369
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -235.750602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.750602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.750602 (E_RNA)
where:
Base-Base interactions energy: -171.110
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.975
local terms energy: -63.665550
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -216.750023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.750023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750023 (E_RNA)
where:
Base-Base interactions energy: -149.928
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.333
local terms energy: -66.489789
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -194.633156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.633156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.633156 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -59.708
Base-Backbone interact. energy: 0.577
local terms energy: -71.381737
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -188.454255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.454255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.454255 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.081
local terms energy: -57.228189
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -3.354
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -202.125441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.125441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125441 (E_RNA)
where:
Base-Base interactions energy: -141.028
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.291
local terms energy: -60.806485
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -170.931394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.931394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.931394 (E_RNA)
where:
Base-Base interactions energy: -109.086
where: short stacking energy: -53.803
Base-Backbone interact. energy: -0.151
local terms energy: -61.694597
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -12.552
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: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -83.857948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.857948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.857948 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.039
local terms energy: -43.151328
where:
bonds (distance) C4'-P energy: -8.113
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -153.544526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.544526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.544526 (E_RNA)
where:
Base-Base interactions energy: -100.857
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.080
local terms energy: -52.608137
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.117
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: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -224.137693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.137693 (E_RNA)
where:
Base-Base interactions energy: -158.719
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.875
local terms energy: -64.543602
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -199.940499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.940499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.940499 (E_RNA)
where:
Base-Base interactions energy: -127.186
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.251
local terms energy: -72.502947
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.893
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: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -227.877466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.877466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.877466 (E_RNA)
where:
Base-Base interactions energy: -157.785
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.137
local terms energy: -69.954877
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -232.808963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.808963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.808963 (E_RNA)
where:
Base-Base interactions energy: -159.849
where: short stacking energy: -69.831
Base-Backbone interact. energy: 0.537
local terms energy: -73.496633
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -189.667931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.667931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.667931 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.327
local terms energy: -68.329674
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -186.875836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875836 (E_RNA)
where:
Base-Base interactions energy: -124.337
where: short stacking energy: -56.704
Base-Backbone interact. energy: 0.209
local terms energy: -62.747175
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -171.852530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.852530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.852530 (E_RNA)
where:
Base-Base interactions energy: -105.197
where: short stacking energy: -56.171
Base-Backbone interact. energy: 0.035
local terms energy: -66.690666
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -180.470669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.470669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.470669 (E_RNA)
where:
Base-Base interactions energy: -120.057
where: short stacking energy: -56.620
Base-Backbone interact. energy: -0.003
local terms energy: -60.410563
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -153.458283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.458283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.458283 (E_RNA)
where:
Base-Base interactions energy: -97.671
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.008
local terms energy: -55.779372
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -100.729317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.729317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.729317 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -38.973
Base-Backbone interact. energy: -0.152
local terms energy: -61.604789
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -4.310
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -231.907244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.907244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.907244 (E_RNA)
where:
Base-Base interactions energy: -166.740
where: short stacking energy: -63.114
Base-Backbone interact. energy: -0.714
local terms energy: -64.453193
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -239.043077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.043077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.043077 (E_RNA)
where:
Base-Base interactions energy: -168.459
where: short stacking energy: -71.995
Base-Backbone interact. energy: -0.247
local terms energy: -70.337502
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -198.889066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.889066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.889066 (E_RNA)
where:
Base-Base interactions energy: -135.510
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.097
local terms energy: -63.281798
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -205.386706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.386706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.386706 (E_RNA)
where:
Base-Base interactions energy: -132.018
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.552
local terms energy: -72.816851
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -203.082055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.082055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.082055 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.120
local terms energy: -61.334222
where:
bonds (distance) C4'-P energy: -5.782
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -201.801314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.801314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.801314 (E_RNA)
where:
Base-Base interactions energy: -133.033
where: short stacking energy: -70.289
Base-Backbone interact. energy: -0.002
local terms energy: -68.765744
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -171.135618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.135618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.135618 (E_RNA)
where:
Base-Base interactions energy: -110.399
where: short stacking energy: -55.685
Base-Backbone interact. energy: -0.319
local terms energy: -60.418045
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -177.716195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.716195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.716195 (E_RNA)
where:
Base-Base interactions energy: -121.515
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.257
local terms energy: -55.944637
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -152.615204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.615204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.615204 (E_RNA)
where:
Base-Base interactions energy: -98.752
where: short stacking energy: -46.917
Base-Backbone interact. energy: 0.051
local terms energy: -53.914428
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -5.389
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: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -88.404971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.404971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.404971 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -37.416
Base-Backbone interact. energy: -0.012
local terms energy: -50.946839
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -10.896
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: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -246.797349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.797349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.797349 (E_RNA)
where:
Base-Base interactions energy: -167.704
where: short stacking energy: -75.863
Base-Backbone interact. energy: -1.629
local terms energy: -77.464318
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.734
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: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -228.626278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.626278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.626278 (E_RNA)
where:
Base-Base interactions energy: -156.480
where: short stacking energy: -60.549
Base-Backbone interact. energy: -1.882
local terms energy: -70.264303
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -207.134969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134969 (E_RNA)
where:
Base-Base interactions energy: -130.940
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.041
local terms energy: -76.153727
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.727
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: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -196.467466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.467466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.467466 (E_RNA)
where:
Base-Base interactions energy: -133.639
where: short stacking energy: -65.481
Base-Backbone interact. energy: 0.377
local terms energy: -63.206105
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -204.676557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676557 (E_RNA)
where:
Base-Base interactions energy: -138.060
where: short stacking energy: -67.762
Base-Backbone interact. energy: -0.165
local terms energy: -66.451156
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -174.051940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.051940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.051940 (E_RNA)
where:
Base-Base interactions energy: -110.464
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.335
local terms energy: -63.253069
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -175.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.987885 (E_RNA)
where:
Base-Base interactions energy: -113.686
where: short stacking energy: -62.435
Base-Backbone interact. energy: 0.581
local terms energy: -62.882991
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -156.575129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.575129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.575129 (E_RNA)
where:
Base-Base interactions energy: -94.434
where: short stacking energy: -56.270
Base-Backbone interact. energy: -0.036
local terms energy: -62.104726
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -12.374
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: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -162.274881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.274881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.274881 (E_RNA)
where:
Base-Base interactions energy: -109.305
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.111
local terms energy: -52.858179
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -91.516802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.516802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.516802 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -33.736
Base-Backbone interact. energy: -0.020
local terms energy: -56.903976
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -243.351549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.351549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.351549 (E_RNA)
where:
Base-Base interactions energy: -166.694
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.066
local terms energy: -76.591985
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -17.484
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: 365
Temperature: 0.950000
Total energy: -218.016882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.016882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.016882 (E_RNA)
where:
Base-Base interactions energy: -144.585
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.398
local terms energy: -73.033321
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -17.858
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: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -203.543486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.543486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.543486 (E_RNA)
where:
Base-Base interactions energy: -124.496
where: short stacking energy: -60.473
Base-Backbone interact. energy: 0.451
local terms energy: -79.497828
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -10.453
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: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -196.375095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.375095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.375095 (E_RNA)
where:
Base-Base interactions energy: -126.846
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.520
local terms energy: -69.009114
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -14.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -188.016773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.016773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.016773 (E_RNA)
where:
Base-Base interactions energy: -120.087
where: short stacking energy: -60.908
Base-Backbone interact. energy: 0.585
local terms energy: -68.514193
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -14.346
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: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -179.255855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255855 (E_RNA)
where:
Base-Base interactions energy: -112.246
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.215
local terms energy: -66.794608
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -181.062473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.062473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.062473 (E_RNA)
where:
Base-Base interactions energy: -127.192
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.090
local terms energy: -53.780046
where:
bonds (distance) C4'-P energy: -4.204
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -172.708558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.708558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.708558 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.121
local terms energy: -61.093970
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -156.928344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.928344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.928344 (E_RNA)
where:
Base-Base interactions energy: -98.368
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.015
local terms energy: -58.545217
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -89.682718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682718 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -35.784
Base-Backbone interact. energy: -0.005
local terms energy: -49.467229
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -2.511
tors. eta vs tors. theta energy: -8.627
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -242.430732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.430732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.430732 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.280
local terms energy: -69.125761
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.466
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: 366
Temperature: 0.950000
Total energy: -213.840441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.840441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.840441 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.764
local terms energy: -70.958579
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -17.967
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: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -186.671734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.671734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.671734 (E_RNA)
where:
Base-Base interactions energy: -121.246
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.757
local terms energy: -64.669730
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -14.872
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: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -194.605536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.605536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.605536 (E_RNA)
where:
Base-Base interactions energy: -121.520
where: short stacking energy: -61.248
Base-Backbone interact. energy: -0.195
local terms energy: -72.890349
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -175.432107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432107 (E_RNA)
where:
Base-Base interactions energy: -110.879
where: short stacking energy: -51.212
Base-Backbone interact. energy: -0.165
local terms energy: -64.387691
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -10.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -197.183871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.183871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.183871 (E_RNA)
where:
Base-Base interactions energy: -128.876
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.585
local terms energy: -67.722315
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -176.989362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.989362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.989362 (E_RNA)
where:
Base-Base interactions energy: -103.636
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.028
local terms energy: -73.325653
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -170.275170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.275170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.275170 (E_RNA)
where:
Base-Base interactions energy: -107.886
where: short stacking energy: -46.973
Base-Backbone interact. energy: -0.941
local terms energy: -61.447738
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -5.456
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: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -177.068702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.068702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.068702 (E_RNA)
where:
Base-Base interactions energy: -113.359
where: short stacking energy: -51.749
Base-Backbone interact. energy: -0.152
local terms energy: -63.557697
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -82.356489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.356489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.356489 (E_RNA)
where:
Base-Base interactions energy: -30.709
where: short stacking energy: -26.688
Base-Backbone interact. energy: -0.140
local terms energy: -51.507083
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -243.360259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.360259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.360259 (E_RNA)
where:
Base-Base interactions energy: -169.131
where: short stacking energy: -77.167
Base-Backbone interact. energy: -0.361
local terms energy: -73.868498
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -7.780
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -222.470531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.470531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.470531 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.838
local terms energy: -68.533103
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -207.022702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.022702 (E_RNA)
where:
Base-Base interactions energy: -132.909
where: short stacking energy: -72.577
Base-Backbone interact. energy: -0.023
local terms energy: -74.090806
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -10.901
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: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -200.835510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.835510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835510 (E_RNA)
where:
Base-Base interactions energy: -137.420
where: short stacking energy: -74.964
Base-Backbone interact. energy: -0.310
local terms energy: -63.105859
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -188.372270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.372270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.372270 (E_RNA)
where:
Base-Base interactions energy: -115.430
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.904
local terms energy: -72.038679
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -181.746742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.746742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746742 (E_RNA)
where:
Base-Base interactions energy: -119.141
where: short stacking energy: -52.242
Base-Backbone interact. energy: -0.383
local terms energy: -62.222585
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -186.238237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.238237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.238237 (E_RNA)
where:
Base-Base interactions energy: -122.665
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.180
local terms energy: -63.393415
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -13.612
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: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -159.124222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.124222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.124222 (E_RNA)
where:
Base-Base interactions energy: -96.069
where: short stacking energy: -44.811
Base-Backbone interact. energy: 1.742
local terms energy: -64.797392
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -11.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -157.623569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.623569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.623569 (E_RNA)
where:
Base-Base interactions energy: -100.097
where: short stacking energy: -46.954
Base-Backbone interact. energy: -1.636
local terms energy: -55.891296
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -81.407745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.407745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.407745 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -36.910
Base-Backbone interact. energy: -0.016
local terms energy: -44.482425
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -242.164454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.164454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.164454 (E_RNA)
where:
Base-Base interactions energy: -168.212
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.564
local terms energy: -73.388962
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -235.904614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.904614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.904614 (E_RNA)
where:
Base-Base interactions energy: -162.511
where: short stacking energy: -76.682
Base-Backbone interact. energy: -1.863
local terms energy: -71.531055
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -202.405463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405463 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -66.529
Base-Backbone interact. energy: -0.089
local terms energy: -72.279070
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.616
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: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -191.850495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.850495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.850495 (E_RNA)
where:
Base-Base interactions energy: -123.071
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.169
local terms energy: -68.610521
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -187.863388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.863388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.863388 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -61.450
Base-Backbone interact. energy: 0.207
local terms energy: -60.919582
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -184.071877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.071877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.071877 (E_RNA)
where:
Base-Base interactions energy: -116.753
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.078
local terms energy: -67.240884
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -175.624030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.624030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.624030 (E_RNA)
where:
Base-Base interactions energy: -111.131
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.390
local terms energy: -64.102491
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -173.695131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.695131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.695131 (E_RNA)
where:
Base-Base interactions energy: -112.104
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.389
local terms energy: -61.202350
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -10.990
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: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -164.204974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.204974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.204974 (E_RNA)
where:
Base-Base interactions energy: -107.332
where: short stacking energy: -42.470
Base-Backbone interact. energy: 0.292
local terms energy: -57.165042
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.553
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: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -84.220199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220199 (E_RNA)
where:
Base-Base interactions energy: -41.120
where: short stacking energy: -33.728
Base-Backbone interact. energy: -0.213
local terms energy: -42.887004
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -238.395405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.395405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.395405 (E_RNA)
where:
Base-Base interactions energy: -166.085
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.469
local terms energy: -71.841939
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -237.471719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.471719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.471719 (E_RNA)
where:
Base-Base interactions energy: -165.397
where: short stacking energy: -67.209
Base-Backbone interact. energy: -1.222
local terms energy: -70.852777
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.831
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: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -198.398271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398271 (E_RNA)
where:
Base-Base interactions energy: -126.484
where: short stacking energy: -72.835
Base-Backbone interact. energy: -0.471
local terms energy: -71.443977
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -8.507
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: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -197.697835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.697835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.697835 (E_RNA)
where:
Base-Base interactions energy: -129.224
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.751
local terms energy: -67.722233
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -11.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -180.730102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.730102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.730102 (E_RNA)
where:
Base-Base interactions energy: -116.928
where: short stacking energy: -56.336
Base-Backbone interact. energy: 1.960
local terms energy: -65.762128
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -172.393463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.393463 (E_RNA)
where:
Base-Base interactions energy: -105.992
where: short stacking energy: -56.055
Base-Backbone interact. energy: -0.413
local terms energy: -65.988426
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -178.985741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.985741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.985741 (E_RNA)
where:
Base-Base interactions energy: -117.390
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.044
local terms energy: -61.551069
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -166.692532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.692532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.692532 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.136
local terms energy: -61.571464
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -9.513
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: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -160.415101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.415101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.415101 (E_RNA)
where:
Base-Base interactions energy: -93.466
where: short stacking energy: -51.365
Base-Backbone interact. energy: -0.110
local terms energy: -66.839414
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -84.055933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.055933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.055933 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.094
local terms energy: -45.359072
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -6.857
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -4.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -239.314982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.314982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.314982 (E_RNA)
where:
Base-Base interactions energy: -166.943
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.226
local terms energy: -72.146236
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -8.392
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: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -228.148057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.148057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.148057 (E_RNA)
where:
Base-Base interactions energy: -151.022
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.955
local terms energy: -76.171204
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -207.862090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.862090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.862090 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -72.945
Base-Backbone interact. energy: -0.435
local terms energy: -70.914361
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -189.749529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.749529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.749529 (E_RNA)
where:
Base-Base interactions energy: -126.086
where: short stacking energy: -52.731
Base-Backbone interact. energy: -0.001
local terms energy: -63.662555
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -184.351040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.351040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.351040 (E_RNA)
where:
Base-Base interactions energy: -113.561
where: short stacking energy: -60.877
Base-Backbone interact. energy: 0.161
local terms energy: -70.951130
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -14.314
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: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -178.702557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702557 (E_RNA)
where:
Base-Base interactions energy: -117.161
where: short stacking energy: -47.207
Base-Backbone interact. energy: -1.253
local terms energy: -60.288411
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -179.781192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.781192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.781192 (E_RNA)
where:
Base-Base interactions energy: -115.445
where: short stacking energy: -60.843
Base-Backbone interact. energy: -0.039
local terms energy: -64.296940
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -163.268480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.268480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.268480 (E_RNA)
where:
Base-Base interactions energy: -107.736
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.128
local terms energy: -55.404422
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -171.283780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.283780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.283780 (E_RNA)
where:
Base-Base interactions energy: -102.666
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.482
local terms energy: -68.136379
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -85.448176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448176 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -32.593
Base-Backbone interact. energy: -0.054
local terms energy: -50.297475
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -4.620
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -6.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -240.857669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.857669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.857669 (E_RNA)
where:
Base-Base interactions energy: -168.469
where: short stacking energy: -71.970
Base-Backbone interact. energy: -0.991
local terms energy: -71.398238
where:
bonds (distance) C4'-P energy: -7.691
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -224.238360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.238360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.238360 (E_RNA)
where:
Base-Base interactions energy: -152.308
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.437
local terms energy: -71.492746
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -14.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -204.588648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.588648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.588648 (E_RNA)
where:
Base-Base interactions energy: -127.322
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.001
local terms energy: -77.264930
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -19.773
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: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -202.662772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.662772 (E_RNA)
where:
Base-Base interactions energy: -124.294
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.825
local terms energy: -77.544583
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -19.909
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: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -195.938523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.938523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.938523 (E_RNA)
where:
Base-Base interactions energy: -118.495
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.002
local terms energy: -77.441682
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -188.005986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.005986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.005986 (E_RNA)
where:
Base-Base interactions energy: -120.816
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.222
local terms energy: -66.967416
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -181.605186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.605186 (E_RNA)
where:
Base-Base interactions energy: -106.387
where: short stacking energy: -55.767
Base-Backbone interact. energy: -0.112
local terms energy: -75.106208
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -160.941165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.941165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.941165 (E_RNA)
where:
Base-Base interactions energy: -104.951
where: short stacking energy: -53.659
Base-Backbone interact. energy: -0.032
local terms energy: -55.957913
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -159.667959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.667959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.667959 (E_RNA)
where:
Base-Base interactions energy: -100.985
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.177
local terms energy: -58.505887
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -83.056528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.056528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.056528 (E_RNA)
where:
Base-Base interactions energy: -36.778
where: short stacking energy: -23.685
Base-Backbone interact. energy: 0.524
local terms energy: -46.803079
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -239.845933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.845933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.845933 (E_RNA)
where:
Base-Base interactions energy: -158.832
where: short stacking energy: -70.777
Base-Backbone interact. energy: -1.606
local terms energy: -79.408169
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.650
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: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -226.013196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.013196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.013196 (E_RNA)
where:
Base-Base interactions energy: -164.779
where: short stacking energy: -63.016
Base-Backbone interact. energy: -0.319
local terms energy: -60.915277
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -202.676679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.676679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.676679 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -60.530
Base-Backbone interact. energy: -0.005
local terms energy: -76.341218
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -12.457
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: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -198.144892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.144892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.144892 (E_RNA)
where:
Base-Base interactions energy: -128.444
where: short stacking energy: -77.053
Base-Backbone interact. energy: -0.002
local terms energy: -69.699737
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -19.858
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: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -188.550637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.550637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.550637 (E_RNA)
where:
Base-Base interactions energy: -119.784
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.067
local terms energy: -68.699618
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.580
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: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -179.442368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.442368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.442368 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -51.515
Base-Backbone interact. energy: -0.201
local terms energy: -63.327111
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -166.281622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.281622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.281622 (E_RNA)
where:
Base-Base interactions energy: -103.201
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.632
local terms energy: -62.448715
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -10.543
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: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -165.857636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.857636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.857636 (E_RNA)
where:
Base-Base interactions energy: -108.402
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.264
local terms energy: -57.191442
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.930
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: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -97.252568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.252568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.252568 (E_RNA)
where:
Base-Base interactions energy: -53.395
where: short stacking energy: -18.479
Base-Backbone interact. energy: -0.467
local terms energy: -43.390167
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -158.308825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.308825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.308825 (E_RNA)
where:
Base-Base interactions energy: -101.166
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.063
local terms energy: -57.080310
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -12.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -240.006259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006259 (E_RNA)
where:
Base-Base interactions energy: -167.628
where: short stacking energy: -69.579
Base-Backbone interact. energy: -1.925
local terms energy: -70.453781
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -239.678774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.678774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.678774 (E_RNA)
where:
Base-Base interactions energy: -166.279
where: short stacking energy: -71.417
Base-Backbone interact. energy: -1.096
local terms energy: -72.304415
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -191.558542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.558542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.558542 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -73.577
Base-Backbone interact. energy: -0.001
local terms energy: -66.554523
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -14.732
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -190.152004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.152004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.152004 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.001
local terms energy: -72.114716
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -194.507909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.507909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507909 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.248
local terms energy: -67.938249
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -8.967
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: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -188.630925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.630925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.630925 (E_RNA)
where:
Base-Base interactions energy: -119.084
where: short stacking energy: -51.059
Base-Backbone interact. energy: -0.270
local terms energy: -69.277845
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -15.633
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: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -174.305521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.305521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.305521 (E_RNA)
where:
Base-Base interactions energy: -109.839
where: short stacking energy: -54.455
Base-Backbone interact. energy: -0.027
local terms energy: -64.439424
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -172.388047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.388047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.388047 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -53.007
Base-Backbone interact. energy: 0.474
local terms energy: -50.629525
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -11.918
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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -130.128839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.128839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.128839 (E_RNA)
where:
Base-Base interactions energy: -74.246
where: short stacking energy: -39.667
Base-Backbone interact. energy: -1.234
local terms energy: -54.649578
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -8.485
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: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -167.208752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.208752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.208752 (E_RNA)
where:
Base-Base interactions energy: -113.331
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.005
local terms energy: -53.873249
where:
bonds (distance) C4'-P energy: -7.129
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -237.250981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.250981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.250981 (E_RNA)
where:
Base-Base interactions energy: -169.694
where: short stacking energy: -68.237
Base-Backbone interact. energy: -0.414
local terms energy: -67.142630
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -233.397107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.397107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.397107 (E_RNA)
where:
Base-Base interactions energy: -159.502
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.374
local terms energy: -73.520759
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -196.219703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.219703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.219703 (E_RNA)
where:
Base-Base interactions energy: -128.117
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.057
local terms energy: -68.045829
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -194.081482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.081482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.081482 (E_RNA)
where:
Base-Base interactions energy: -124.212
where: short stacking energy: -65.189
Base-Backbone interact. energy: -0.065
local terms energy: -69.804389
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -191.442874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.442874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.442874 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -63.271
Base-Backbone interact. energy: -0.024
local terms energy: -71.745448
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -17.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -192.790122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.790122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.790122 (E_RNA)
where:
Base-Base interactions energy: -125.572
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.056
local terms energy: -67.162424
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -167.374341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.374341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374341 (E_RNA)
where:
Base-Base interactions energy: -107.111
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.063
local terms energy: -60.200438
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -11.990
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: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -162.141623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.141623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.141623 (E_RNA)
where:
Base-Base interactions energy: -96.958
where: short stacking energy: -50.191
Base-Backbone interact. energy: -0.117
local terms energy: -65.066679
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -9.434
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: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -173.525199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.525199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.525199 (E_RNA)
where:
Base-Base interactions energy: -115.553
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.077
local terms energy: -57.895122
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -93.486120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486120 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.416
local terms energy: -51.581882
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -244.047538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.047538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.047538 (E_RNA)
where:
Base-Base interactions energy: -166.710
where: short stacking energy: -66.468
Base-Backbone interact. energy: -1.247
local terms energy: -76.090967
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -17.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -232.863160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.863160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.863160 (E_RNA)
where:
Base-Base interactions energy: -159.148
where: short stacking energy: -67.941
Base-Backbone interact. energy: -1.628
local terms energy: -72.087668
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -201.365807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.365807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.365807 (E_RNA)
where:
Base-Base interactions energy: -132.060
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.656
local terms energy: -68.650117
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -189.182670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.182670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.182670 (E_RNA)
where:
Base-Base interactions energy: -119.085
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.939
local terms energy: -69.158660
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -187.786648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.786648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.786648 (E_RNA)
where:
Base-Base interactions energy: -126.207
where: short stacking energy: -60.201
Base-Backbone interact. energy: -0.448
local terms energy: -61.131503
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -15.214
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: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -191.026298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.026298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.026298 (E_RNA)
where:
Base-Base interactions energy: -129.624
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.158
local terms energy: -61.244383
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -12.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -172.836446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.836446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.836446 (E_RNA)
where:
Base-Base interactions energy: -110.372
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.112
local terms energy: -62.353341
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -9.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -163.949684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.949684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.949684 (E_RNA)
where:
Base-Base interactions energy: -100.676
where: short stacking energy: -43.327
Base-Backbone interact. energy: -0.476
local terms energy: -62.798039
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -158.154526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.154526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.154526 (E_RNA)
where:
Base-Base interactions energy: -98.709
where: short stacking energy: -51.507
Base-Backbone interact. energy: -0.179
local terms energy: -59.266903
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -89.022190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022190 (E_RNA)
where:
Base-Base interactions energy: -47.403
where: short stacking energy: -27.368
Base-Backbone interact. energy: -0.206
local terms energy: -41.413117
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: 0.580
tors. eta vs tors. theta energy: -1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -239.778050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.778050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.778050 (E_RNA)
where:
Base-Base interactions energy: -166.764
where: short stacking energy: -71.161
Base-Backbone interact. energy: -1.018
local terms energy: -71.996033
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -16.526
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: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -238.304258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.304258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.304258 (E_RNA)
where:
Base-Base interactions energy: -167.988
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.361
local terms energy: -69.955617
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -186.847130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.847130 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.487
local terms energy: -58.363415
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -193.481714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.481714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.481714 (E_RNA)
where:
Base-Base interactions energy: -123.592
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.181
local terms energy: -69.708635
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -191.272712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.272712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.272712 (E_RNA)
where:
Base-Base interactions energy: -123.836
where: short stacking energy: -64.912
Base-Backbone interact. energy: 0.150
local terms energy: -67.587192
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -177.855683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.855683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.855683 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -54.877
Base-Backbone interact. energy: -0.461
local terms energy: -63.606058
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -168.481473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.481473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.481473 (E_RNA)
where:
Base-Base interactions energy: -102.101
where: short stacking energy: -43.949
Base-Backbone interact. energy: -0.444
local terms energy: -65.936559
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -9.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -170.486238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.486238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.486238 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -49.230
Base-Backbone interact. energy: -0.490
local terms energy: -59.576348
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -15.196
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: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -169.462690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.462690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.462690 (E_RNA)
where:
Base-Base interactions energy: -120.228
where: short stacking energy: -58.483
Base-Backbone interact. energy: -1.490
local terms energy: -47.744127
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -3.643
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -79.747828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.747828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.747828 (E_RNA)
where:
Base-Base interactions energy: -32.681
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.043
local terms energy: -47.023922
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -232.035954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.035954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.035954 (E_RNA)
where:
Base-Base interactions energy: -159.535
where: short stacking energy: -64.161
Base-Backbone interact. energy: -0.397
local terms energy: -72.103654
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -195.352480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.352480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.352480 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.002
local terms energy: -69.248113
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -229.028547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028547 (E_RNA)
where:
Base-Base interactions energy: -157.221
where: short stacking energy: -74.331
Base-Backbone interact. energy: -0.414
local terms energy: -71.394141
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.365
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: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -197.196776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.196776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.196776 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.183
local terms energy: -68.774978
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.380
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: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -198.858731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.858731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858731 (E_RNA)
where:
Base-Base interactions energy: -131.068
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.500
local terms energy: -67.290811
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -193.798891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.798891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.798891 (E_RNA)
where:
Base-Base interactions energy: -126.901
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.126
local terms energy: -66.772228
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -9.733
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -179.085717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.085717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.085717 (E_RNA)
where:
Base-Base interactions energy: -111.051
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.013
local terms energy: -68.022013
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -16.046
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: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -180.071615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.071615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.071615 (E_RNA)
where:
Base-Base interactions energy: -115.576
where: short stacking energy: -57.494
Base-Backbone interact. energy: 2.307
local terms energy: -66.802696
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -173.849926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.849926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.849926 (E_RNA)
where:
Base-Base interactions energy: -111.973
where: short stacking energy: -51.513
Base-Backbone interact. energy: -0.721
local terms energy: -61.155359
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -84.527294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527294 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.084
local terms energy: -51.482430
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -223.928732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.928732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.928732 (E_RNA)
where:
Base-Base interactions energy: -151.236
where: short stacking energy: -54.681
Base-Backbone interact. energy: -1.568
local terms energy: -71.124743
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -207.839769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.839769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.839769 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -69.059
Base-Backbone interact. energy: 1.194
local terms energy: -74.882205
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -200.458898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.458898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.458898 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.022
local terms energy: -64.213658
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -14.666
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: 378
Temperature: 1.050000
Total energy: -231.199843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.199843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.199843 (E_RNA)
where:
Base-Base interactions energy: -154.293
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.451
local terms energy: -76.456593
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -183.463881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.463881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.463881 (E_RNA)
where:
Base-Base interactions energy: -117.548
where: short stacking energy: -61.298
Base-Backbone interact. energy: -0.464
local terms energy: -65.451583
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -181.511756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.511756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.511756 (E_RNA)
where:
Base-Base interactions energy: -108.940
where: short stacking energy: -52.672
Base-Backbone interact. energy: -0.463
local terms energy: -72.108373
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -16.270
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: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -180.455640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455640 (E_RNA)
where:
Base-Base interactions energy: -114.688
where: short stacking energy: -51.028
Base-Backbone interact. energy: -0.077
local terms energy: -65.691309
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -11.651
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -171.006513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.006513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.006513 (E_RNA)
where:
Base-Base interactions energy: -107.011
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.137
local terms energy: -63.858197
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -168.782120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.782120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.782120 (E_RNA)
where:
Base-Base interactions energy: -109.284
where: short stacking energy: -51.749
Base-Backbone interact. energy: -0.235
local terms energy: -59.263064
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -12.740
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: 10, replica: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -85.178608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.178608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.178608 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -30.226
Base-Backbone interact. energy: 1.327
local terms energy: -55.218227
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -231.035830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.035830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.035830 (E_RNA)
where:
Base-Base interactions energy: -161.329
where: short stacking energy: -65.342
Base-Backbone interact. energy: -1.141
local terms energy: -68.566359
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -199.943175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.943175 (E_RNA)
where:
Base-Base interactions energy: -126.286
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.221
local terms energy: -73.436337
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -14.140
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: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -206.273757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.273757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.273757 (E_RNA)
where:
Base-Base interactions energy: -137.915
where: short stacking energy: -66.382
Base-Backbone interact. energy: -0.030
local terms energy: -68.327989
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -217.572207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.572207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.572207 (E_RNA)
where:
Base-Base interactions energy: -149.139
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.501
local terms energy: -67.932534
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -188.088316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.088316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.088316 (E_RNA)
where:
Base-Base interactions energy: -118.620
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.102
local terms energy: -69.366135
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -181.708848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708848 (E_RNA)
where:
Base-Base interactions energy: -118.451
where: short stacking energy: -62.412
Base-Backbone interact. energy: 0.776
local terms energy: -64.033907
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -15.913
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -173.086338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.086338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.086338 (E_RNA)
where:
Base-Base interactions energy: -108.788
where: short stacking energy: -58.624
Base-Backbone interact. energy: 2.625
local terms energy: -66.923509
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -17.935
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: 379
Temperature: 1.250000
Total energy: -174.575444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.575444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.575444 (E_RNA)
where:
Base-Base interactions energy: -110.209
where: short stacking energy: -55.428
Base-Backbone interact. energy: 0.062
local terms energy: -64.428401
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -160.990853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.990853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.990853 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -49.967
Base-Backbone interact. energy: -0.061
local terms energy: -58.387588
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -87.990487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.990487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.990487 (E_RNA)
where:
Base-Base interactions energy: -40.782
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.332
local terms energy: -46.876649
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -208.371453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.371453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.371453 (E_RNA)
where:
Base-Base interactions energy: -143.327
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.002
local terms energy: -65.042462
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -244.253146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.253146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.253146 (E_RNA)
where:
Base-Base interactions energy: -174.134
where: short stacking energy: -70.967
Base-Backbone interact. energy: -0.670
local terms energy: -69.448945
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -18.351
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: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -196.157444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.157444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.157444 (E_RNA)
where:
Base-Base interactions energy: -134.197
where: short stacking energy: -53.462
Base-Backbone interact. energy: -0.361
local terms energy: -61.599473
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.213
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: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -190.276767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.276767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.276767 (E_RNA)
where:
Base-Base interactions energy: -124.569
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.122
local terms energy: -65.585976
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -187.845449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.845449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.845449 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.059
local terms energy: -62.965175
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -178.754129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.754129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.754129 (E_RNA)
where:
Base-Base interactions energy: -117.105
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.241
local terms energy: -61.407957
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -172.628012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.628012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.628012 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -48.931
Base-Backbone interact. energy: -0.045
local terms energy: -71.467683
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -165.025372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.025372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.025372 (E_RNA)
where:
Base-Base interactions energy: -103.340
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.045
local terms energy: -61.639724
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -166.408298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.408298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.408298 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.025
local terms energy: -61.258793
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -10.628
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: 5
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -80.057857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.057857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.057857 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.075
local terms energy: -49.601692
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -211.579838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.579838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579838 (E_RNA)
where:
Base-Base interactions energy: -133.694
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.144
local terms energy: -77.741384
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.142
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: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -219.001624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.001624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.001624 (E_RNA)
where:
Base-Base interactions energy: -147.152
where: short stacking energy: -66.950
Base-Backbone interact. energy: -0.182
local terms energy: -71.667524
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -229.776025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.776025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.776025 (E_RNA)
where:
Base-Base interactions energy: -158.181
where: short stacking energy: -61.673
Base-Backbone interact. energy: 0.153
local terms energy: -71.748327
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -191.770643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.770643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.770643 (E_RNA)
where:
Base-Base interactions energy: -126.204
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.663
local terms energy: -64.903874
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -9.238
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: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -196.912224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.912224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.912224 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -73.298
Base-Backbone interact. energy: -0.022
local terms energy: -69.357219
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -16.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -178.674446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.674446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.674446 (E_RNA)
where:
Base-Base interactions energy: -112.356
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.047
local terms energy: -66.271414
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -17.082
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: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -183.391724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.391724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.391724 (E_RNA)
where:
Base-Base interactions energy: -117.948
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.381
local terms energy: -65.061911
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -174.881270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.881270 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -44.594
Base-Backbone interact. energy: -0.069
local terms energy: -61.742630
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -166.623053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.623053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.623053 (E_RNA)
where:
Base-Base interactions energy: -114.061
where: short stacking energy: -50.295
Base-Backbone interact. energy: 1.009
local terms energy: -53.571295
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -87.431814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431814 (E_RNA)
where:
Base-Base interactions energy: -39.780
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.461
local terms energy: -47.191264
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -1.197
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: 382
Temperature: 0.900000
Total energy: -223.636539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.636539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.636539 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -71.782
Base-Backbone interact. energy: -0.020
local terms energy: -73.663136
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -18.116
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: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -214.908161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.908161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.908161 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -75.844
Base-Backbone interact. energy: -0.212
local terms energy: -73.525791
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -19.834
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: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -234.259740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.259740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.259740 (E_RNA)
where:
Base-Base interactions energy: -163.857
where: short stacking energy: -63.670
Base-Backbone interact. energy: -0.473
local terms energy: -69.929920
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -11.959
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: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -189.171542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.171542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.171542 (E_RNA)
where:
Base-Base interactions energy: -126.274
where: short stacking energy: -63.603
Base-Backbone interact. energy: -0.098
local terms energy: -62.799982
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -198.479030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.479030 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -63.638
Base-Backbone interact. energy: 0.783
local terms energy: -68.204661
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -185.492075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.492075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.492075 (E_RNA)
where:
Base-Base interactions energy: -119.838
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.283
local terms energy: -65.371684
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -177.262671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.262671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.262671 (E_RNA)
where:
Base-Base interactions energy: -113.173
where: short stacking energy: -55.252
Base-Backbone interact. energy: -0.030
local terms energy: -64.059901
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -12.772
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: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -165.719313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.719313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.719313 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.256
local terms energy: -51.614646
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -88.789721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.789721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.789721 (E_RNA)
where:
Base-Base interactions energy: -53.505
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.081
local terms energy: -35.203215
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: 0.260
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -166.193029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.193029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.193029 (E_RNA)
where:
Base-Base interactions energy: -106.145
where: short stacking energy: -52.850
Base-Backbone interact. energy: 0.573
local terms energy: -60.621132
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -9.508
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: 383
Temperature: 0.900000
Total energy: -215.664553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.664553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.664553 (E_RNA)
where:
Base-Base interactions energy: -144.979
where: short stacking energy: -77.043
Base-Backbone interact. energy: -0.013
local terms energy: -70.671649
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -18.626
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: 383
Temperature: 0.950000
Total energy: -229.109466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.109466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.109466 (E_RNA)
where:
Base-Base interactions energy: -154.210
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.273
local terms energy: -74.626431
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -205.936013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.936013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.936013 (E_RNA)
where:
Base-Base interactions energy: -133.305
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.071
local terms energy: -72.560592
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -195.508407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.508407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.508407 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.122
local terms energy: -65.915033
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -197.816210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.816210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.816210 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -60.308
Base-Backbone interact. energy: -0.100
local terms energy: -65.968776
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -13.199
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: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -183.585796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.585796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.585796 (E_RNA)
where:
Base-Base interactions energy: -126.223
where: short stacking energy: -59.447
Base-Backbone interact. energy: 1.774
local terms energy: -59.136949
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -173.948522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.948522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.948522 (E_RNA)
where:
Base-Base interactions energy: -116.392
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.085
local terms energy: -57.471332
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -11.396
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: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -176.575017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.575017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.575017 (E_RNA)
where:
Base-Base interactions energy: -107.734
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.579
local terms energy: -68.261281
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.485851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.485851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.485851 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.141
local terms energy: -45.303515
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -129.613336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.613336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.613336 (E_RNA)
where:
Base-Base interactions energy: -81.852
where: short stacking energy: -44.177
Base-Backbone interact. energy: -0.070
local terms energy: -47.690551
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -242.309931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.309931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.309931 (E_RNA)
where:
Base-Base interactions energy: -163.834
where: short stacking energy: -70.553
Base-Backbone interact. energy: -0.605
local terms energy: -77.871442
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -17.519
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: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -202.001155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.001155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.001155 (E_RNA)
where:
Base-Base interactions energy: -134.476
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.015
local terms energy: -67.510367
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -201.408848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.408848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.408848 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.366
local terms energy: -73.975066
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -202.398102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398102 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.023
local terms energy: -67.058736
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -7.165
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: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -194.076390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.076390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.076390 (E_RNA)
where:
Base-Base interactions energy: -124.507
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.005
local terms energy: -69.564469
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -184.887444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.887444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.887444 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.196
local terms energy: -66.792600
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -173.518392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.518392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.518392 (E_RNA)
where:
Base-Base interactions energy: -112.336
where: short stacking energy: -58.268
Base-Backbone interact. energy: -0.083
local terms energy: -61.099089
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -179.509269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509269 (E_RNA)
where:
Base-Base interactions energy: -115.422
where: short stacking energy: -52.633
Base-Backbone interact. energy: -0.025
local terms energy: -64.061511
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -11.128
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: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -156.892575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.892575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.892575 (E_RNA)
where:
Base-Base interactions energy: -101.474
where: short stacking energy: -50.411
Base-Backbone interact. energy: -0.419
local terms energy: -55.000518
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -4.049
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -85.814761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.814761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.814761 (E_RNA)
where:
Base-Base interactions energy: -32.026
where: short stacking energy: -30.235
Base-Backbone interact. energy: -0.167
local terms energy: -53.621217
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -230.292011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.292011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.292011 (E_RNA)
where:
Base-Base interactions energy: -161.030
where: short stacking energy: -56.997
Base-Backbone interact. energy: -0.150
local terms energy: -69.112211
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -12.659
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: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -207.499611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.499611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.499611 (E_RNA)
where:
Base-Base interactions energy: -132.469
where: short stacking energy: -74.602
Base-Backbone interact. energy: 1.742
local terms energy: -76.772775
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -18.290
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: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -217.629117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.629117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629117 (E_RNA)
where:
Base-Base interactions energy: -144.664
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.489
local terms energy: -72.476093
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -190.216297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.216297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.216297 (E_RNA)
where:
Base-Base interactions energy: -122.458
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.067
local terms energy: -67.691261
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -182.025824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.025824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.025824 (E_RNA)
where:
Base-Base interactions energy: -114.244
where: short stacking energy: -52.017
Base-Backbone interact. energy: -1.007
local terms energy: -66.774957
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -183.543668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.543668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.543668 (E_RNA)
where:
Base-Base interactions energy: -116.934
where: short stacking energy: -61.726
Base-Backbone interact. energy: 0.095
local terms energy: -66.703910
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -169.571691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.571691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.571691 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -48.494
Base-Backbone interact. energy: -0.048
local terms energy: -60.481312
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -168.623657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.623657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.623657 (E_RNA)
where:
Base-Base interactions energy: -108.871
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.307
local terms energy: -59.445758
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -160.137010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.137010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.137010 (E_RNA)
where:
Base-Base interactions energy: -109.729
where: short stacking energy: -54.516
Base-Backbone interact. energy: -0.134
local terms energy: -50.274016
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.374
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: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -84.116261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116261 (E_RNA)
where:
Base-Base interactions energy: -29.890
where: short stacking energy: -29.890
Base-Backbone interact. energy: -0.097
local terms energy: -54.129935
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -232.913519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.913519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.913519 (E_RNA)
where:
Base-Base interactions energy: -160.242
where: short stacking energy: -59.578
Base-Backbone interact. energy: -1.381
local terms energy: -71.290647
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -14.558
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: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -209.951905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.951905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.951905 (E_RNA)
where:
Base-Base interactions energy: -132.560
where: short stacking energy: -71.713
Base-Backbone interact. energy: 1.817
local terms energy: -79.209101
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -204.409355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.409355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.409355 (E_RNA)
where:
Base-Base interactions energy: -126.421
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.845
local terms energy: -77.143611
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -189.507509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.507509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.507509 (E_RNA)
where:
Base-Base interactions energy: -121.511
where: short stacking energy: -54.617
Base-Backbone interact. energy: -0.629
local terms energy: -67.368068
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -184.677398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.677398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677398 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -58.934
Base-Backbone interact. energy: -0.777
local terms energy: -55.397604
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -173.800016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.800016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800016 (E_RNA)
where:
Base-Base interactions energy: -115.045
where: short stacking energy: -54.990
Base-Backbone interact. energy: 0.396
local terms energy: -59.151282
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -9.188
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: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -180.941362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.941362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.941362 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -54.293
Base-Backbone interact. energy: 0.257
local terms energy: -64.228539
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -169.332648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.332648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.332648 (E_RNA)
where:
Base-Base interactions energy: -105.230
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.679
local terms energy: -63.423098
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -160.733086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.733086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.733086 (E_RNA)
where:
Base-Base interactions energy: -101.554
where: short stacking energy: -46.693
Base-Backbone interact. energy: 2.185
local terms energy: -61.364229
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -79.983588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.983588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.983588 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -26.143
Base-Backbone interact. energy: 0.937
local terms energy: -51.321055
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -240.064634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.064634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.064634 (E_RNA)
where:
Base-Base interactions energy: -168.339
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.354
local terms energy: -71.371183
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -205.730660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.730660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.730660 (E_RNA)
where:
Base-Base interactions energy: -131.393
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.006
local terms energy: -74.332186
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -9.271
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: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -204.377368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377368 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -73.391
Base-Backbone interact. energy: -0.170
local terms energy: -77.495151
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -18.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -198.960418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.960418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.960418 (E_RNA)
where:
Base-Base interactions energy: -126.849
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.069
local terms energy: -72.041728
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -185.009073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.009073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.009073 (E_RNA)
where:
Base-Base interactions energy: -117.880
where: short stacking energy: -63.769
Base-Backbone interact. energy: -0.013
local terms energy: -67.115729
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -178.594524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.594524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.594524 (E_RNA)
where:
Base-Base interactions energy: -116.478
where: short stacking energy: -55.503
Base-Backbone interact. energy: -0.076
local terms energy: -62.040102
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -7.590
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -172.315253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.315253 (E_RNA)
where:
Base-Base interactions energy: -120.359
where: short stacking energy: -56.183
Base-Backbone interact. energy: 0.271
local terms energy: -52.226988
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -6.193
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -10.003
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: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -171.395582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.395582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.395582 (E_RNA)
where:
Base-Base interactions energy: -108.557
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.912
local terms energy: -61.926350
where:
bonds (distance) C4'-P energy: -7.426
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -164.565487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.565487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.565487 (E_RNA)
where:
Base-Base interactions energy: -106.187
where: short stacking energy: -49.469
Base-Backbone interact. energy: -0.858
local terms energy: -57.520271
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -9.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -75.223689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.223689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.223689 (E_RNA)
where:
Base-Base interactions energy: -30.177
where: short stacking energy: -12.291
Base-Backbone interact. energy: -0.351
local terms energy: -44.695684
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: 4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -232.685071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.685071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.685071 (E_RNA)
where:
Base-Base interactions energy: -162.536
where: short stacking energy: -68.798
Base-Backbone interact. energy: -0.510
local terms energy: -69.639311
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -201.823488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.823488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.823488 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.276
local terms energy: -70.404250
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -195.017587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.017587 (E_RNA)
where:
Base-Base interactions energy: -134.429
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.035
local terms energy: -60.553956
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -9.207
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -191.890677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.890677 (E_RNA)
where:
Base-Base interactions energy: -124.576
where: short stacking energy: -56.736
Base-Backbone interact. energy: -0.829
local terms energy: -66.486235
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -12.723
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: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -181.115683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115683 (E_RNA)
where:
Base-Base interactions energy: -116.396
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.676
local terms energy: -64.043599
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -178.699111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.699111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.699111 (E_RNA)
where:
Base-Base interactions energy: -114.575
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.118
local terms energy: -64.006585
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -174.578685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.578685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.578685 (E_RNA)
where:
Base-Base interactions energy: -110.158
where: short stacking energy: -56.498
Base-Backbone interact. energy: -0.496
local terms energy: -63.924183
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -11.422
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -163.241266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.241266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.241266 (E_RNA)
where:
Base-Base interactions energy: -102.099
where: short stacking energy: -50.669
Base-Backbone interact. energy: -0.182
local terms energy: -60.960139
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -165.175834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.175834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.175834 (E_RNA)
where:
Base-Base interactions energy: -102.477
where: short stacking energy: -48.593
Base-Backbone interact. energy: -0.163
local terms energy: -62.535768
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -8.789
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: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -130.928560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.928560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.928560 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -41.859
Base-Backbone interact. energy: 1.822
local terms energy: -38.849209
where:
bonds (distance) C4'-P energy: -5.160
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.607
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -231.461306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.461306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.461306 (E_RNA)
where:
Base-Base interactions energy: -156.945
where: short stacking energy: -65.539
Base-Backbone interact. energy: -1.165
local terms energy: -73.351113
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -218.164680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.164680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.164680 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.645
local terms energy: -68.556638
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -14.093
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: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -199.613280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.613280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.613280 (E_RNA)
where:
Base-Base interactions energy: -130.311
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.014
local terms energy: -69.288862
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -192.166249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.166249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.166249 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.136
local terms energy: -72.196002
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -13.924
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: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -188.986085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.986085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.986085 (E_RNA)
where:
Base-Base interactions energy: -116.703
where: short stacking energy: -65.603
Base-Backbone interact. energy: -0.008
local terms energy: -72.275156
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -183.523739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523739 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.835
local terms energy: -63.808451
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -173.816809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.816809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.816809 (E_RNA)
where:
Base-Base interactions energy: -109.057
where: short stacking energy: -55.404
Base-Backbone interact. energy: -0.184
local terms energy: -64.576109
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -13.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -164.956249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.956249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.956249 (E_RNA)
where:
Base-Base interactions energy: -107.673
where: short stacking energy: -56.031
Base-Backbone interact. energy: 0.689
local terms energy: -57.971776
where:
bonds (distance) C4'-P energy: -9.862
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -171.986361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.986361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.986361 (E_RNA)
where:
Base-Base interactions energy: -111.700
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.006
local terms energy: -60.280649
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -13.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -156.972321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.972321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.972321 (E_RNA)
where:
Base-Base interactions energy: -104.185
where: short stacking energy: -49.020
Base-Backbone interact. energy: -0.244
local terms energy: -52.543153
where:
bonds (distance) C4'-P energy: -7.609
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -4.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -227.429795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.429795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.429795 (E_RNA)
where:
Base-Base interactions energy: -158.423
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.373
local terms energy: -68.633794
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -9.811
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: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -219.747224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.747224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.747224 (E_RNA)
where:
Base-Base interactions energy: -151.472
where: short stacking energy: -61.806
Base-Backbone interact. energy: -1.683
local terms energy: -66.591743
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -11.384
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: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -189.316512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.316512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.316512 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.131
local terms energy: -65.681401
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -202.815953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.815953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.815953 (E_RNA)
where:
Base-Base interactions energy: -136.424
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.215
local terms energy: -66.176398
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -196.103534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.103534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.103534 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -64.941
Base-Backbone interact. energy: -0.034
local terms energy: -66.625672
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -158.226044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.226044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.226044 (E_RNA)
where:
Base-Base interactions energy: -97.515
where: short stacking energy: -47.857
Base-Backbone interact. energy: -0.116
local terms energy: -60.594931
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -172.559841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.559841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.559841 (E_RNA)
where:
Base-Base interactions energy: -114.865
where: short stacking energy: -62.480
Base-Backbone interact. energy: -0.173
local terms energy: -57.521937
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -152.718613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.718613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.718613 (E_RNA)
where:
Base-Base interactions energy: -91.404
where: short stacking energy: -45.463
Base-Backbone interact. energy: 1.035
local terms energy: -62.349848
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -6.716
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: 5
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -160.391121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.391121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.391121 (E_RNA)
where:
Base-Base interactions energy: -114.048
where: short stacking energy: -49.390
Base-Backbone interact. energy: -0.038
local terms energy: -46.305050
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -174.930887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.930887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.930887 (E_RNA)
where:
Base-Base interactions energy: -117.266
where: short stacking energy: -51.019
Base-Backbone interact. energy: -1.259
local terms energy: -56.405985
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -11.211
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: 391
Temperature: 0.900000
Total energy: -226.981775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.981775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.981775 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -72.500
Base-Backbone interact. energy: 0.711
local terms energy: -72.735448
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -15.820
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: 391
Temperature: 0.950000
Total energy: -224.269083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.269083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.269083 (E_RNA)
where:
Base-Base interactions energy: -154.092
where: short stacking energy: -67.611
Base-Backbone interact. energy: -1.265
local terms energy: -68.911409
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -191.971323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.971323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.971323 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.510
local terms energy: -70.179049
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -189.112414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.112414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.112414 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.701
local terms energy: -70.219252
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -15.821
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: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -194.072985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.072985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.072985 (E_RNA)
where:
Base-Base interactions energy: -128.879
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.010
local terms energy: -65.183897
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -173.715761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.715761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.715761 (E_RNA)
where:
Base-Base interactions energy: -111.721
where: short stacking energy: -53.474
Base-Backbone interact. energy: 0.585
local terms energy: -62.579445
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -13.348
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -146.880543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.880543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.880543 (E_RNA)
where:
Base-Base interactions energy: -89.953
where: short stacking energy: -44.941
Base-Backbone interact. energy: -0.183
local terms energy: -56.743950
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -163.453061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.453061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.453061 (E_RNA)
where:
Base-Base interactions energy: -103.438
where: short stacking energy: -45.540
Base-Backbone interact. energy: -0.021
local terms energy: -59.994310
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -11.168
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: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -173.373044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.373044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.373044 (E_RNA)
where:
Base-Base interactions energy: -109.662
where: short stacking energy: -54.552
Base-Backbone interact. energy: -0.028
local terms energy: -63.683339
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -155.573190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.573190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.573190 (E_RNA)
where:
Base-Base interactions energy: -101.449
where: short stacking energy: -45.084
Base-Backbone interact. energy: -0.318
local terms energy: -53.805920
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -10.026
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: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -214.537437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.537437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.537437 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.018
local terms energy: -64.811801
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -8.153
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: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -219.182489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182489 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.078
local terms energy: -71.214288
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -12.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -193.855103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.855103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.855103 (E_RNA)
where:
Base-Base interactions energy: -120.951
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.363
local terms energy: -72.541338
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -14.965
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: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -181.501040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.501040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.501040 (E_RNA)
where:
Base-Base interactions energy: -118.821
where: short stacking energy: -57.878
Base-Backbone interact. energy: 0.021
local terms energy: -62.700547
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -201.668067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.668067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.668067 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -53.251
Base-Backbone interact. energy: 0.019
local terms energy: -68.792691
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -13.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -186.128689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.128689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.128689 (E_RNA)
where:
Base-Base interactions energy: -120.674
where: short stacking energy: -61.931
Base-Backbone interact. energy: -0.001
local terms energy: -65.453180
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -170.567711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.567711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.567711 (E_RNA)
where:
Base-Base interactions energy: -102.927
where: short stacking energy: -51.225
Base-Backbone interact. energy: -0.158
local terms energy: -67.483177
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -168.152675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.152675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.152675 (E_RNA)
where:
Base-Base interactions energy: -105.315
where: short stacking energy: -50.083
Base-Backbone interact. energy: -0.340
local terms energy: -62.497952
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -171.335360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.335360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.335360 (E_RNA)
where:
Base-Base interactions energy: -108.296
where: short stacking energy: -49.877
Base-Backbone interact. energy: -0.028
local terms energy: -63.012287
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -163.908135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.908135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.908135 (E_RNA)
where:
Base-Base interactions energy: -104.339
where: short stacking energy: -43.909
Base-Backbone interact. energy: 0.664
local terms energy: -60.232752
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -221.030934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.030934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.030934 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.110
local terms energy: -73.145644
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -225.098984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.098984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.098984 (E_RNA)
where:
Base-Base interactions energy: -157.617
where: short stacking energy: -61.871
Base-Backbone interact. energy: -0.386
local terms energy: -67.095823
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -199.519773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.519773 (E_RNA)
where:
Base-Base interactions energy: -127.542
where: short stacking energy: -65.746
Base-Backbone interact. energy: 1.239
local terms energy: -73.217026
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -6.975
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: 4, replica: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -187.646980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.646980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.646980 (E_RNA)
where:
Base-Base interactions energy: -119.048
where: short stacking energy: -59.864
Base-Backbone interact. energy: -0.003
local terms energy: -68.595533
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -173.127636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.127636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.127636 (E_RNA)
where:
Base-Base interactions energy: -110.586
where: short stacking energy: -47.374
Base-Backbone interact. energy: -0.453
local terms energy: -62.088874
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -177.850319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.850319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.850319 (E_RNA)
where:
Base-Base interactions energy: -115.458
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.014
local terms energy: -62.378755
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -169.953072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.953072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.953072 (E_RNA)
where:
Base-Base interactions energy: -109.970
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.002
local terms energy: -59.981027
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -16.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -170.463939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.463939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.463939 (E_RNA)
where:
Base-Base interactions energy: -104.241
where: short stacking energy: -45.741
Base-Backbone interact. energy: -0.195
local terms energy: -66.027539
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -160.083993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.083993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.083993 (E_RNA)
where:
Base-Base interactions energy: -110.834
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.080
local terms energy: -49.169755
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -148.379899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.379899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.379899 (E_RNA)
where:
Base-Base interactions energy: -94.924
where: short stacking energy: -35.601
Base-Backbone interact. energy: -0.197
local terms energy: -53.259508
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -238.091485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.091485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.091485 (E_RNA)
where:
Base-Base interactions energy: -165.047
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.700
local terms energy: -72.345269
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.738
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: 2, replica: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -225.655189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.655189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.655189 (E_RNA)
where:
Base-Base interactions energy: -154.120
where: short stacking energy: -74.448
Base-Backbone interact. energy: -0.238
local terms energy: -71.297523
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -10.898
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: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -191.595336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.595336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.595336 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.199
local terms energy: -64.218765
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -194.023459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.023459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.023459 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.720
local terms energy: -68.389166
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -176.229183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.229183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.229183 (E_RNA)
where:
Base-Base interactions energy: -118.016
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.058
local terms energy: -58.155328
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -5.769
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: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -186.164566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.164566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.164566 (E_RNA)
where:
Base-Base interactions energy: -123.401
where: short stacking energy: -54.392
Base-Backbone interact. energy: 2.791
local terms energy: -65.554693
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.640
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -171.375025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.375025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.375025 (E_RNA)
where:
Base-Base interactions energy: -107.828
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.651
local terms energy: -62.895663
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -12.843
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: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -161.831328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.831328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.831328 (E_RNA)
where:
Base-Base interactions energy: -105.593
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.050
local terms energy: -56.188404
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -13.035
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: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -165.494092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.494092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.494092 (E_RNA)
where:
Base-Base interactions energy: -108.730
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.062
local terms energy: -56.701769
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -148.606047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.606047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.606047 (E_RNA)
where:
Base-Base interactions energy: -98.588
where: short stacking energy: -44.560
Base-Backbone interact. energy: 0.080
local terms energy: -50.098034
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -4.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -239.800805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.800805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.800805 (E_RNA)
where:
Base-Base interactions energy: -170.750
where: short stacking energy: -74.200
Base-Backbone interact. energy: -0.210
local terms energy: -68.841287
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -6.381
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -209.911552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.911552 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.002
local terms energy: -73.688541
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -17.626
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: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -218.854418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854418 (E_RNA)
where:
Base-Base interactions energy: -156.943
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.461
local terms energy: -61.450520
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -198.024215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.024215 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.668
local terms energy: -70.416025
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.497
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: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -202.399053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.399053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.399053 (E_RNA)
where:
Base-Base interactions energy: -124.700
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.830
local terms energy: -76.868760
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -15.697
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: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -178.633104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.633104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.633104 (E_RNA)
where:
Base-Base interactions energy: -113.447
where: short stacking energy: -61.567
Base-Backbone interact. energy: -0.114
local terms energy: -65.071329
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -188.664554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.664554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.664554 (E_RNA)
where:
Base-Base interactions energy: -117.054
where: short stacking energy: -64.526
Base-Backbone interact. energy: -0.507
local terms energy: -71.104013
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -166.585344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.585344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.585344 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -44.974
Base-Backbone interact. energy: -0.803
local terms energy: -58.016483
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -181.575088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.575088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.575088 (E_RNA)
where:
Base-Base interactions energy: -111.637
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.089
local terms energy: -69.848096
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -139.352281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.352281 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -45.204
Base-Backbone interact. energy: -0.321
local terms energy: -41.956605
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -4.719
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -244.643462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.643462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.643462 (E_RNA)
where:
Base-Base interactions energy: -173.048
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.132
local terms energy: -71.464053
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -199.343229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.343229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.343229 (E_RNA)
where:
Base-Base interactions energy: -133.730
where: short stacking energy: -67.280
Base-Backbone interact. energy: -0.015
local terms energy: -65.597748
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -212.112374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.112374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.112374 (E_RNA)
where:
Base-Base interactions energy: -140.492
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.004
local terms energy: -71.617185
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -15.970
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: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -183.177015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.177015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.177015 (E_RNA)
where:
Base-Base interactions energy: -113.734
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.883
local terms energy: -68.559910
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -12.469
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: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -198.321502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.321502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321502 (E_RNA)
where:
Base-Base interactions energy: -140.440
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.098
local terms energy: -57.782678
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -183.129395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.129395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129395 (E_RNA)
where:
Base-Base interactions energy: -121.900
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.076
local terms energy: -61.152843
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -180.407470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.407470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.407470 (E_RNA)
where:
Base-Base interactions energy: -119.492
where: short stacking energy: -54.783
Base-Backbone interact. energy: 1.573
local terms energy: -62.488594
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -159.840393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.840393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.840393 (E_RNA)
where:
Base-Base interactions energy: -102.035
where: short stacking energy: -52.469
Base-Backbone interact. energy: -0.396
local terms energy: -57.409767
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -155.228559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.228559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.228559 (E_RNA)
where:
Base-Base interactions energy: -102.137
where: short stacking energy: -47.603
Base-Backbone interact. energy: -0.257
local terms energy: -52.834991
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.421
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: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -168.497204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.497204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.497204 (E_RNA)
where:
Base-Base interactions energy: -114.595
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.221
local terms energy: -53.681678
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -12.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -238.291971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.291971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.291971 (E_RNA)
where:
Base-Base interactions energy: -170.923
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.571
local terms energy: -66.798108
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -205.032287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.032287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.032287 (E_RNA)
where:
Base-Base interactions energy: -139.365
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.233
local terms energy: -65.434981
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -14.652
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: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -199.831996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.831996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.831996 (E_RNA)
where:
Base-Base interactions energy: -131.650
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.018
local terms energy: -68.163402
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -193.457614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.457614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.457614 (E_RNA)
where:
Base-Base interactions energy: -124.184
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.766
local terms energy: -68.507305
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -194.438969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438969 (E_RNA)
where:
Base-Base interactions energy: -115.044
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.038
local terms energy: -79.356253
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -181.697427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.697427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.697427 (E_RNA)
where:
Base-Base interactions energy: -114.796
where: short stacking energy: -59.041
Base-Backbone interact. energy: -0.126
local terms energy: -66.775509
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -168.503016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.503016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.503016 (E_RNA)
where:
Base-Base interactions energy: -109.982
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.009
local terms energy: -58.512574
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.080
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: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -168.543711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.543711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.543711 (E_RNA)
where:
Base-Base interactions energy: -113.846
where: short stacking energy: -57.750
Base-Backbone interact. energy: -0.132
local terms energy: -54.565373
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -9.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -161.376373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.376373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.376373 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -47.688
Base-Backbone interact. energy: -1.069
local terms energy: -59.869218
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -117.477505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.477505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.477505 (E_RNA)
where:
Base-Base interactions energy: -65.447
where: short stacking energy: -37.507
Base-Backbone interact. energy: -0.113
local terms energy: -51.917707
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -6.317
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -243.157941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.157941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.157941 (E_RNA)
where:
Base-Base interactions energy: -170.894
where: short stacking energy: -67.666
Base-Backbone interact. energy: -0.361
local terms energy: -71.903296
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.406
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: 2, replica: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -207.831821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.831821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.831821 (E_RNA)
where:
Base-Base interactions energy: -135.713
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.953
local terms energy: -71.166327
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -208.990168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.990168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.990168 (E_RNA)
where:
Base-Base interactions energy: -137.526
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.525
local terms energy: -70.939232
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -184.389095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.389095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.389095 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -47.738
Base-Backbone interact. energy: -0.768
local terms energy: -66.296901
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -184.776336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.776336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.776336 (E_RNA)
where:
Base-Base interactions energy: -128.295
where: short stacking energy: -51.877
Base-Backbone interact. energy: 0.323
local terms energy: -56.803708
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -200.235831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.235831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.235831 (E_RNA)
where:
Base-Base interactions energy: -131.300
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.725
local terms energy: -68.211089
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -11.237
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -176.936198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.936198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.936198 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -50.531
Base-Backbone interact. energy: -0.001
local terms energy: -64.423808
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -168.706021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706021 (E_RNA)
where:
Base-Base interactions energy: -106.467
where: short stacking energy: -49.237
Base-Backbone interact. energy: -0.136
local terms energy: -62.103488
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -151.075919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.075919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.075919 (E_RNA)
where:
Base-Base interactions energy: -95.130
where: short stacking energy: -47.107
Base-Backbone interact. energy: -0.140
local terms energy: -55.805909
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -90.308193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.308193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.308193 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -38.645
Base-Backbone interact. energy: -0.122
local terms energy: -45.510353
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -240.777714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.777714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.777714 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.745
local terms energy: -73.325699
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -217.953172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.953172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.953172 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -70.964
Base-Backbone interact. energy: -1.107
local terms energy: -70.257824
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -196.499873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.499873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.499873 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -70.876
Base-Backbone interact. energy: -0.345
local terms energy: -63.103449
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -185.298643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.298643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.298643 (E_RNA)
where:
Base-Base interactions energy: -119.120
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.112
local terms energy: -66.067617
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -10.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -182.951310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951310 (E_RNA)
where:
Base-Base interactions energy: -122.053
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.020
local terms energy: -60.879059
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -188.686582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.686582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.686582 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -55.932
Base-Backbone interact. energy: -0.616
local terms energy: -72.759575
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -14.504
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: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -176.367043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367043 (E_RNA)
where:
Base-Base interactions energy: -114.115
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.001
local terms energy: -62.251934
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -169.854280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.854280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.854280 (E_RNA)
where:
Base-Base interactions energy: -108.348
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.003
local terms energy: -61.502688
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -13.129
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: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -161.821639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.821639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.821639 (E_RNA)
where:
Base-Base interactions energy: -104.835
where: short stacking energy: -47.080
Base-Backbone interact. energy: 1.293
local terms energy: -58.279822
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -8.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -81.611629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.611629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.611629 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.210
Base-Backbone interact. energy: 0.119
local terms energy: -49.893523
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -240.773487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.773487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.773487 (E_RNA)
where:
Base-Base interactions energy: -163.727
where: short stacking energy: -69.867
Base-Backbone interact. energy: -0.308
local terms energy: -76.737815
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -213.331905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.331905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.331905 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.598
local terms energy: -72.819865
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -20.466
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -203.964312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.964312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.964312 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -77.473
Base-Backbone interact. energy: -0.001
local terms energy: -72.585985
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -198.916958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.916958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.916958 (E_RNA)
where:
Base-Base interactions energy: -132.726
where: short stacking energy: -60.030
Base-Backbone interact. energy: -0.172
local terms energy: -66.019041
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -201.892095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.892095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.892095 (E_RNA)
where:
Base-Base interactions energy: -139.818
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.453
local terms energy: -61.621501
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -13.214
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: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -184.788690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788690 (E_RNA)
where:
Base-Base interactions energy: -119.458
where: short stacking energy: -48.354
Base-Backbone interact. energy: -0.126
local terms energy: -65.204682
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -15.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -167.031168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.031168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.031168 (E_RNA)
where:
Base-Base interactions energy: -105.012
where: short stacking energy: -53.759
Base-Backbone interact. energy: 0.877
local terms energy: -62.896401
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -149.220560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.220560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.220560 (E_RNA)
where:
Base-Base interactions energy: -93.687
where: short stacking energy: -43.583
Base-Backbone interact. energy: -0.654
local terms energy: -54.879663
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -2.685
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -94.483738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.483738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.483738 (E_RNA)
where:
Base-Base interactions energy: -35.665
where: short stacking energy: -32.713
Base-Backbone interact. energy: -0.325
local terms energy: -58.494224
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -154.380127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.380127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.380127 (E_RNA)
where:
Base-Base interactions energy: -95.938
where: short stacking energy: -43.317
Base-Backbone interact. energy: -0.003
local terms energy: -58.439694
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -7.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -239.271958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.271958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.271958 (E_RNA)
where:
Base-Base interactions energy: -167.414
where: short stacking energy: -66.408
Base-Backbone interact. energy: -0.079
local terms energy: -71.779190
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -209.628717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.628717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.628717 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -73.234
Base-Backbone interact. energy: 0.268
local terms energy: -63.653028
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -209.857049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.857049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.857049 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.379
local terms energy: -74.487088
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -215.410431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410431 (E_RNA)
where:
Base-Base interactions energy: -143.472
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.036
local terms energy: -71.901986
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -205.498367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.498367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.498367 (E_RNA)
where:
Base-Base interactions energy: -146.639
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.354
local terms energy: -58.505415
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -4.665
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: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -174.174114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.174114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.174114 (E_RNA)
where:
Base-Base interactions energy: -110.520
where: short stacking energy: -55.627
Base-Backbone interact. energy: -0.082
local terms energy: -63.572584
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -13.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -178.164896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.164896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.164896 (E_RNA)
where:
Base-Base interactions energy: -107.332
where: short stacking energy: -41.922
Base-Backbone interact. energy: -1.475
local terms energy: -69.358337
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -13.984
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: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -171.079609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.079609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.079609 (E_RNA)
where:
Base-Base interactions energy: -116.794
where: short stacking energy: -51.733
Base-Backbone interact. energy: 0.910
local terms energy: -55.195061
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -5.067
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -96.565466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.565466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.565466 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -36.225
Base-Backbone interact. energy: -0.133
local terms energy: -58.732652
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -6.469
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: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -157.453538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.453538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.453538 (E_RNA)
where:
Base-Base interactions energy: -96.865
where: short stacking energy: -44.014
Base-Backbone interact. energy: -0.012
local terms energy: -60.577017
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -212.263795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.263795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.263795 (E_RNA)
where:
Base-Base interactions energy: -134.294
where: short stacking energy: -73.471
Base-Backbone interact. energy: -0.005
local terms energy: -77.964264
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -235.306586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.306586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306586 (E_RNA)
where:
Base-Base interactions energy: -167.012
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.438
local terms energy: -67.856595
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -228.121971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.121971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.121971 (E_RNA)
where:
Base-Base interactions energy: -162.723
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.200
local terms energy: -65.199001
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -204.757476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.757476 (E_RNA)
where:
Base-Base interactions energy: -131.867
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.073
local terms energy: -72.816738
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -11.524
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: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -180.074790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.074790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.074790 (E_RNA)
where:
Base-Base interactions energy: -116.668
where: short stacking energy: -43.121
Base-Backbone interact. energy: -0.158
local terms energy: -63.248797
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -9.829
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: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -171.896232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.896232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.896232 (E_RNA)
where:
Base-Base interactions energy: -104.822
where: short stacking energy: -44.945
Base-Backbone interact. energy: 0.567
local terms energy: -67.640750
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -13.702
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: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -179.133901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133901 (E_RNA)
where:
Base-Base interactions energy: -113.826
where: short stacking energy: -49.284
Base-Backbone interact. energy: -0.434
local terms energy: -64.873589
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -184.641902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.641902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.641902 (E_RNA)
where:
Base-Base interactions energy: -115.231
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.276
local terms energy: -69.135672
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -160.646743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.646743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.646743 (E_RNA)
where:
Base-Base interactions energy: -102.805
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.059
local terms energy: -57.783440
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -91.897879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.897879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.897879 (E_RNA)
where:
Base-Base interactions energy: -44.860
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.877
local terms energy: -46.160884
where:
bonds (distance) C4'-P energy: -8.093
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -214.809723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.809723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.809723 (E_RNA)
where:
Base-Base interactions energy: -132.805
where: short stacking energy: -66.981
Base-Backbone interact. energy: -0.026
local terms energy: -81.978684
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -10.680
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: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -229.073636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.073636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.073636 (E_RNA)
where:
Base-Base interactions energy: -165.223
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.690
local terms energy: -63.160460
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -224.515139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.515139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.515139 (E_RNA)
where:
Base-Base interactions energy: -165.764
where: short stacking energy: -65.488
Base-Backbone interact. energy: -0.794
local terms energy: -57.957834
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -184.167912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.167912 (E_RNA)
where:
Base-Base interactions energy: -118.632
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.015
local terms energy: -65.520488
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -188.625346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.625346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625346 (E_RNA)
where:
Base-Base interactions energy: -119.076
where: short stacking energy: -60.885
Base-Backbone interact. energy: -0.421
local terms energy: -69.128648
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -182.260137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.260137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260137 (E_RNA)
where:
Base-Base interactions energy: -119.325
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.240
local terms energy: -62.695509
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -175.947903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947903 (E_RNA)
where:
Base-Base interactions energy: -111.196
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.284
local terms energy: -64.467957
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -15.926
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -173.799814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.799814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.799814 (E_RNA)
where:
Base-Base interactions energy: -110.592
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.127
local terms energy: -63.081051
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -167.307614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.307614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.307614 (E_RNA)
where:
Base-Base interactions energy: -104.276
where: short stacking energy: -44.009
Base-Backbone interact. energy: -0.114
local terms energy: -62.917072
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -80.298369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298369 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -26.694
Base-Backbone interact. energy: -0.103
local terms energy: -50.415556
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -3.186
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -238.183384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.183384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.183384 (E_RNA)
where:
Base-Base interactions energy: -162.956
where: short stacking energy: -69.523
Base-Backbone interact. energy: -1.310
local terms energy: -73.917153
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -203.846307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.846307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.846307 (E_RNA)
where:
Base-Base interactions energy: -136.785
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.562
local terms energy: -66.499272
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -239.206205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.206205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.206205 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -76.712
Base-Backbone interact. energy: -0.224
local terms energy: -71.261521
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -199.725949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.725949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.725949 (E_RNA)
where:
Base-Base interactions energy: -125.590
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.002
local terms energy: -74.133583
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -18.544
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: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -185.912252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912252 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -56.805
Base-Backbone interact. energy: 1.761
local terms energy: -68.428693
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -193.397719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.397719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.397719 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -60.821
Base-Backbone interact. energy: -0.106
local terms energy: -59.319880
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -6.353
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -168.810985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.810985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.810985 (E_RNA)
where:
Base-Base interactions energy: -106.954
where: short stacking energy: -51.637
Base-Backbone interact. energy: -0.028
local terms energy: -61.828419
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -174.064483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.064483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.064483 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -45.523
Base-Backbone interact. energy: -0.773
local terms energy: -60.194294
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -160.528862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.528862 (E_RNA)
where:
Base-Base interactions energy: -107.428
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.164
local terms energy: -52.937032
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.701
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -83.438456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.438456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.438456 (E_RNA)
where:
Base-Base interactions energy: -39.149
where: short stacking energy: -38.708
Base-Backbone interact. energy: -0.117
local terms energy: -44.172970
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -231.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.968871 (E_RNA)
where:
Base-Base interactions energy: -159.466
where: short stacking energy: -62.536
Base-Backbone interact. energy: -0.260
local terms energy: -72.242467
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -246.275625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.275625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.275625 (E_RNA)
where:
Base-Base interactions energy: -165.754
where: short stacking energy: -73.515
Base-Backbone interact. energy: -2.757
local terms energy: -77.764664
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -19.290
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: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -206.018808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.018808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.018808 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.734
local terms energy: -70.105760
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -198.759524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.759524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.759524 (E_RNA)
where:
Base-Base interactions energy: -132.420
where: short stacking energy: -65.463
Base-Backbone interact. energy: -0.001
local terms energy: -66.338575
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -16.024
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: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -181.052151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.052151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.052151 (E_RNA)
where:
Base-Base interactions energy: -124.668
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.205
local terms energy: -56.178782
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -170.337268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.337268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.337268 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.019
local terms energy: -59.726707
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -179.226617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.226617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.226617 (E_RNA)
where:
Base-Base interactions energy: -114.425
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.121
local terms energy: -64.680367
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -15.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -164.828530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.828530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.828530 (E_RNA)
where:
Base-Base interactions energy: -105.912
where: short stacking energy: -45.085
Base-Backbone interact. energy: -0.756
local terms energy: -58.160586
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -12.502
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: 405
Temperature: 1.300000
Total energy: -161.147993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.147993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.147993 (E_RNA)
where:
Base-Base interactions energy: -104.008
where: short stacking energy: -41.856
Base-Backbone interact. energy: -0.137
local terms energy: -57.003301
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -90.942677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.942677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.942677 (E_RNA)
where:
Base-Base interactions energy: -43.887
where: short stacking energy: -41.725
Base-Backbone interact. energy: -0.172
local terms energy: -46.883538
where:
bonds (distance) C4'-P energy: -9.819
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -241.453676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.453676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.453676 (E_RNA)
where:
Base-Base interactions energy: -170.720
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.384
local terms energy: -70.349701
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -11.898
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: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -234.383807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.383807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.383807 (E_RNA)
where:
Base-Base interactions energy: -165.733
where: short stacking energy: -64.447
Base-Backbone interact. energy: 0.747
local terms energy: -69.397705
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.017
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: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -202.002564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002564 (E_RNA)
where:
Base-Base interactions energy: -131.523
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.007
local terms energy: -70.473398
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -185.055441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.055441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.055441 (E_RNA)
where:
Base-Base interactions energy: -127.941
where: short stacking energy: -55.184
Base-Backbone interact. energy: 0.041
local terms energy: -57.156250
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -171.034030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.034030 (E_RNA)
where:
Base-Base interactions energy: -102.663
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.433
local terms energy: -67.938173
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -13.505
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: 406
Temperature: 1.150000
Total energy: -178.266405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.266405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.266405 (E_RNA)
where:
Base-Base interactions energy: -113.723
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.045
local terms energy: -64.497663
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -184.430750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.430750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.430750 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -55.083
Base-Backbone interact. energy: 0.194
local terms energy: -68.137110
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -169.083270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.083270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.083270 (E_RNA)
where:
Base-Base interactions energy: -109.467
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.064
local terms energy: -59.552766
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -165.153252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.153252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.153252 (E_RNA)
where:
Base-Base interactions energy: -104.566
where: short stacking energy: -46.945
Base-Backbone interact. energy: -0.124
local terms energy: -60.463131
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -10.044
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: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -87.671364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.671364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.671364 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -33.202
Base-Backbone interact. energy: -0.240
local terms energy: -54.511285
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -239.655965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.655965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.655965 (E_RNA)
where:
Base-Base interactions energy: -167.399
where: short stacking energy: -64.863
Base-Backbone interact. energy: 0.010
local terms energy: -72.266598
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -15.991
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: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -231.792483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.792483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.792483 (E_RNA)
where:
Base-Base interactions energy: -158.825
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.091
local terms energy: -72.876609
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -222.831077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.831077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.831077 (E_RNA)
where:
Base-Base interactions energy: -149.611
where: short stacking energy: -74.701
Base-Backbone interact. energy: -0.182
local terms energy: -73.038627
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -199.018033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.018033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.018033 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -62.023
Base-Backbone interact. energy: -1.072
local terms energy: -72.950248
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -191.456688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.456688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.456688 (E_RNA)
where:
Base-Base interactions energy: -121.353
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.438
local terms energy: -69.665724
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -174.917179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.917179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.917179 (E_RNA)
where:
Base-Base interactions energy: -116.763
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.123
local terms energy: -58.031284
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -177.591492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.591492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.591492 (E_RNA)
where:
Base-Base interactions energy: -109.901
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.080
local terms energy: -67.611290
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -163.809126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.809126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.809126 (E_RNA)
where:
Base-Base interactions energy: -103.540
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.307
local terms energy: -59.961811
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -155.349825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.349825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.349825 (E_RNA)
where:
Base-Base interactions energy: -100.572
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.108
local terms energy: -54.669717
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -11.103
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: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -77.338644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.338644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.338644 (E_RNA)
where:
Base-Base interactions energy: -38.404
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.299
local terms energy: -38.635639
where:
bonds (distance) C4'-P energy: -3.078
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -237.892543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.892543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.892543 (E_RNA)
where:
Base-Base interactions energy: -160.382
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.141
local terms energy: -77.369229
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -240.737847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.737847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.737847 (E_RNA)
where:
Base-Base interactions energy: -164.748
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.442
local terms energy: -75.547902
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -11.089
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: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -189.512706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.512706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.512706 (E_RNA)
where:
Base-Base interactions energy: -125.165
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.446
local terms energy: -63.900754
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -13.490
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -209.814157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.814157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.814157 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -60.663
Base-Backbone interact. energy: -0.175
local terms energy: -64.200009
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -3.278
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: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -183.381214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.381214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.381214 (E_RNA)
where:
Base-Base interactions energy: -118.577
where: short stacking energy: -55.626
Base-Backbone interact. energy: -0.169
local terms energy: -64.635426
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -14.390
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: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -178.995021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.995021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.995021 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.003
local terms energy: -68.699072
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -183.257976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.257976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.257976 (E_RNA)
where:
Base-Base interactions energy: -122.279
where: short stacking energy: -58.329
Base-Backbone interact. energy: -0.013
local terms energy: -60.965237
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -159.503836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.503836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.503836 (E_RNA)
where:
Base-Base interactions energy: -105.163
where: short stacking energy: -52.175
Base-Backbone interact. energy: -0.000
local terms energy: -54.340197
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -9.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -155.908454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.908454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.908454 (E_RNA)
where:
Base-Base interactions energy: -100.537
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.604
local terms energy: -54.767710
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -83.198514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.198514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.198514 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.925
local terms energy: -53.858825
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -235.459055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.459055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.459055 (E_RNA)
where:
Base-Base interactions energy: -162.256
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.643
local terms energy: -72.560266
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -16.963
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -198.298090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.298090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.298090 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -65.852
Base-Backbone interact. energy: -1.917
local terms energy: -69.785011
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.483
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: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -221.917157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917157 (E_RNA)
where:
Base-Base interactions energy: -154.127
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.211
local terms energy: -67.579191
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -19.506
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: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -189.096545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.096545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.096545 (E_RNA)
where:
Base-Base interactions energy: -126.620
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.141
local terms energy: -62.335011
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -9.930
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: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -201.997603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.997603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.997603 (E_RNA)
where:
Base-Base interactions energy: -131.460
where: short stacking energy: -58.838
Base-Backbone interact. energy: -0.576
local terms energy: -69.960914
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -188.446548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.446548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.446548 (E_RNA)
where:
Base-Base interactions energy: -123.496
where: short stacking energy: -61.350
Base-Backbone interact. energy: 0.800
local terms energy: -65.750576
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -168.997395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.997395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.997395 (E_RNA)
where:
Base-Base interactions energy: -99.307
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.148
local terms energy: -69.542781
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -167.707259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.707259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.707259 (E_RNA)
where:
Base-Base interactions energy: -102.702
where: short stacking energy: -46.869
Base-Backbone interact. energy: 1.152
local terms energy: -66.156543
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -161.173497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.173497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.173497 (E_RNA)
where:
Base-Base interactions energy: -106.196
where: short stacking energy: -50.051
Base-Backbone interact. energy: 0.637
local terms energy: -55.614285
where:
bonds (distance) C4'-P energy: -7.211
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -11.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -82.804841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.804841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.804841 (E_RNA)
where:
Base-Base interactions energy: -44.873
where: short stacking energy: -29.649
Base-Backbone interact. energy: 1.991
local terms energy: -39.923015
where:
bonds (distance) C4'-P energy: -6.403
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -2.562
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -231.522346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.522346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.522346 (E_RNA)
where:
Base-Base interactions energy: -159.801
where: short stacking energy: -65.783
Base-Backbone interact. energy: -0.173
local terms energy: -71.549051
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -10.310
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: 2, replica: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -202.665227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.665227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.665227 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.013
local terms energy: -67.945253
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -225.605367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.605367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.605367 (E_RNA)
where:
Base-Base interactions energy: -153.882
where: short stacking energy: -68.005
Base-Backbone interact. energy: 0.665
local terms energy: -72.388459
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.989
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: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -182.498177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.498177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.498177 (E_RNA)
where:
Base-Base interactions energy: -118.784
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.238
local terms energy: -63.475923
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -195.148117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.148117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.148117 (E_RNA)
where:
Base-Base interactions energy: -128.280
where: short stacking energy: -58.129
Base-Backbone interact. energy: -0.035
local terms energy: -66.832588
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -187.760852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.760852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.760852 (E_RNA)
where:
Base-Base interactions energy: -123.798
where: short stacking energy: -61.934
Base-Backbone interact. energy: 0.149
local terms energy: -64.112247
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -13.982
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: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -176.613386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.613386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.613386 (E_RNA)
where:
Base-Base interactions energy: -120.548
where: short stacking energy: -52.383
Base-Backbone interact. energy: -0.167
local terms energy: -55.898701
where:
bonds (distance) C4'-P energy: -9.500
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -2.477
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -173.520292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520292 (E_RNA)
where:
Base-Base interactions energy: -110.693
where: short stacking energy: -53.633
Base-Backbone interact. energy: -0.062
local terms energy: -62.765316
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -154.239600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.239600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.239600 (E_RNA)
where:
Base-Base interactions energy: -93.449
where: short stacking energy: -44.836
Base-Backbone interact. energy: -0.057
local terms energy: -60.733689
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -74.755136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.755136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.755136 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -18.354
Base-Backbone interact. energy: -0.050
local terms energy: -47.089904
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -243.170899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.170899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.170899 (E_RNA)
where:
Base-Base interactions energy: -173.226
where: short stacking energy: -68.695
Base-Backbone interact. energy: 0.184
local terms energy: -70.128630
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -238.897583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.897583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.897583 (E_RNA)
where:
Base-Base interactions energy: -167.829
where: short stacking energy: -73.564
Base-Backbone interact. energy: -0.774
local terms energy: -70.294369
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -197.427097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427097 (E_RNA)
where:
Base-Base interactions energy: -130.866
where: short stacking energy: -57.638
Base-Backbone interact. energy: 0.099
local terms energy: -66.659901
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -186.185787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.185787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.185787 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.133
local terms energy: -55.200174
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -7.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -176.551162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.551162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.551162 (E_RNA)
where:
Base-Base interactions energy: -113.955
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.052
local terms energy: -62.544224
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -9.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -181.876226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.876226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.876226 (E_RNA)
where:
Base-Base interactions energy: -115.130
where: short stacking energy: -59.787
Base-Backbone interact. energy: -0.259
local terms energy: -66.487561
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -13.320
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -163.346475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.346475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.346475 (E_RNA)
where:
Base-Base interactions energy: -102.244
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.119
local terms energy: -60.982963
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -182.725586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725586 (E_RNA)
where:
Base-Base interactions energy: -121.149
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.082
local terms energy: -61.494946
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -164.771840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.771840 (E_RNA)
where:
Base-Base interactions energy: -105.741
where: short stacking energy: -55.078
Base-Backbone interact. energy: 1.159
local terms energy: -60.190184
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -83.381740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.381740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.381740 (E_RNA)
where:
Base-Base interactions energy: -38.748
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.460
local terms energy: -44.173214
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -7.447
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -233.337142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.337142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.337142 (E_RNA)
where:
Base-Base interactions energy: -166.005
where: short stacking energy: -63.547
Base-Backbone interact. energy: 0.606
local terms energy: -67.937937
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -237.045674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.045674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.045674 (E_RNA)
where:
Base-Base interactions energy: -165.203
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.285
local terms energy: -71.558222
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -195.288491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.288491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.288491 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.077
local terms energy: -64.277745
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -183.374558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.374558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.374558 (E_RNA)
where:
Base-Base interactions energy: -120.600
where: short stacking energy: -58.609
Base-Backbone interact. energy: -0.029
local terms energy: -62.746096
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -14.104
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: 412
Temperature: 1.100000
Total energy: -184.828733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.828733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.828733 (E_RNA)
where:
Base-Base interactions energy: -119.420
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.080
local terms energy: -65.328125
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -171.828882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.828882 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -55.831
Base-Backbone interact. energy: -0.073
local terms energy: -63.807926
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -11.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -181.151615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.151615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.151615 (E_RNA)
where:
Base-Base interactions energy: -114.255
where: short stacking energy: -48.340
Base-Backbone interact. energy: -0.307
local terms energy: -66.590004
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -167.588807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.588807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.588807 (E_RNA)
where:
Base-Base interactions energy: -104.766
where: short stacking energy: -43.033
Base-Backbone interact. energy: -0.010
local terms energy: -62.813765
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -96.436929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.436929 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -24.163
Base-Backbone interact. energy: -0.065
local terms energy: -55.189888
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -154.679826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.679826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.679826 (E_RNA)
where:
Base-Base interactions energy: -90.243
where: short stacking energy: -45.333
Base-Backbone interact. energy: -0.154
local terms energy: -64.282894
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -8.590
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: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -239.700854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.700854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.700854 (E_RNA)
where:
Base-Base interactions energy: -169.801
where: short stacking energy: -67.238
Base-Backbone interact. energy: -0.330
local terms energy: -69.569604
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -233.772001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.772001 (E_RNA)
where:
Base-Base interactions energy: -156.542
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.217
local terms energy: -77.012976
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -187.959874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959874 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -58.384
Base-Backbone interact. energy: 0.362
local terms energy: -67.859116
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -11.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -205.321022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.321022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.321022 (E_RNA)
where:
Base-Base interactions energy: -134.836
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.083
local terms energy: -70.402327
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -13.191
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -183.036397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.036397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.036397 (E_RNA)
where:
Base-Base interactions energy: -115.335
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.473
local terms energy: -67.228058
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -11.576
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -186.658622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.658622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.658622 (E_RNA)
where:
Base-Base interactions energy: -116.223
where: short stacking energy: -50.865
Base-Backbone interact. energy: -0.171
local terms energy: -70.264201
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -6.895
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: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -166.266204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.266204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.266204 (E_RNA)
where:
Base-Base interactions energy: -98.611
where: short stacking energy: -47.008
Base-Backbone interact. energy: -0.606
local terms energy: -67.049132
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -11.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -165.105940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.105940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.105940 (E_RNA)
where:
Base-Base interactions energy: -98.557
where: short stacking energy: -41.466
Base-Backbone interact. energy: -0.292
local terms energy: -66.256344
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -131.999450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.999450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.999450 (E_RNA)
where:
Base-Base interactions energy: -81.378
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.009
local terms energy: -50.611555
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -9.610
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -2.498
tors. eta vs tors. theta energy: -14.062
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: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -154.319445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.319445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.319445 (E_RNA)
where:
Base-Base interactions energy: -96.076
where: short stacking energy: -46.841
Base-Backbone interact. energy: -0.165
local terms energy: -58.078843
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -236.179389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.179389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.179389 (E_RNA)
where:
Base-Base interactions energy: -163.968
where: short stacking energy: -67.893
Base-Backbone interact. energy: -1.633
local terms energy: -70.578753
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -14.674
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: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -227.132577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.132577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.132577 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -70.396
Base-Backbone interact. energy: -0.625
local terms energy: -75.309303
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -187.640111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640111 (E_RNA)
where:
Base-Base interactions energy: -116.744
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.013
local terms energy: -70.883313
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -195.573746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.573746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.573746 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -55.353
Base-Backbone interact. energy: -0.003
local terms energy: -70.632067
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.527
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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -196.011869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.011869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.011869 (E_RNA)
where:
Base-Base interactions energy: -131.929
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.156
local terms energy: -63.926219
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -12.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -184.150193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.150193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.150193 (E_RNA)
where:
Base-Base interactions energy: -119.130
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.087
local terms energy: -64.933847
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -166.715505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.715505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.715505 (E_RNA)
where:
Base-Base interactions energy: -101.523
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.420
local terms energy: -64.772638
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -169.753663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.753663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.753663 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.026
local terms energy: -54.696027
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -10.433
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -153.844870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.844870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.844870 (E_RNA)
where:
Base-Base interactions energy: -105.402
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.087
local terms energy: -48.355845
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -157.736170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.736170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.736170 (E_RNA)
where:
Base-Base interactions energy: -105.229
where: short stacking energy: -37.953
Base-Backbone interact. energy: 1.856
local terms energy: -54.363127
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -236.143977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.143977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.143977 (E_RNA)
where:
Base-Base interactions energy: -163.492
where: short stacking energy: -67.156
Base-Backbone interact. energy: -1.473
local terms energy: -71.178892
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -221.490803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.490803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.490803 (E_RNA)
where:
Base-Base interactions energy: -155.712
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.175
local terms energy: -65.604192
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -20.444
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: 8
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -213.142904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.142904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.142904 (E_RNA)
where:
Base-Base interactions energy: -150.036
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.149
local terms energy: -62.957700
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -9.435
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: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -191.817793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817793 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -62.382
Base-Backbone interact. energy: -0.001
local terms energy: -70.850113
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -197.744903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.744903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.744903 (E_RNA)
where:
Base-Base interactions energy: -122.149
where: short stacking energy: -61.446
Base-Backbone interact. energy: -0.082
local terms energy: -75.514330
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.628
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: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -176.519367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.519367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.519367 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.149
local terms energy: -56.054902
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -187.369054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.369054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.369054 (E_RNA)
where:
Base-Base interactions energy: -117.019
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.447
local terms energy: -69.903555
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -158.316383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.316383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.316383 (E_RNA)
where:
Base-Base interactions energy: -107.225
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.130
local terms energy: -50.961113
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -166.454135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.454135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.454135 (E_RNA)
where:
Base-Base interactions energy: -110.079
where: short stacking energy: -52.390
Base-Backbone interact. energy: -0.355
local terms energy: -56.020328
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -155.241209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.241209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.241209 (E_RNA)
where:
Base-Base interactions energy: -103.726
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.068
local terms energy: -51.447849
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -228.083131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.083131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.083131 (E_RNA)
where:
Base-Base interactions energy: -157.482
where: short stacking energy: -63.549
Base-Backbone interact. energy: 1.491
local terms energy: -72.092128
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -13.152
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -212.094454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.094454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.094454 (E_RNA)
where:
Base-Base interactions energy: -145.304
where: short stacking energy: -70.049
Base-Backbone interact. energy: 1.318
local terms energy: -68.109013
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -222.084541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.084541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.084541 (E_RNA)
where:
Base-Base interactions energy: -152.825
where: short stacking energy: -72.746
Base-Backbone interact. energy: -0.705
local terms energy: -68.553934
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.756
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: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -191.562200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.562200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.562200 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -56.253
Base-Backbone interact. energy: -0.021
local terms energy: -68.176600
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -13.664
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: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -184.306979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.306979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.306979 (E_RNA)
where:
Base-Base interactions energy: -115.162
where: short stacking energy: -58.115
Base-Backbone interact. energy: -0.219
local terms energy: -68.926191
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -173.138335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.138335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.138335 (E_RNA)
where:
Base-Base interactions energy: -108.066
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.212
local terms energy: -64.860400
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -3.146
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: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -177.401393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.401393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.401393 (E_RNA)
where:
Base-Base interactions energy: -123.203
where: short stacking energy: -56.487
Base-Backbone interact. energy: 0.777
local terms energy: -54.975308
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -157.558395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.558395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.558395 (E_RNA)
where:
Base-Base interactions energy: -97.466
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.442
local terms energy: -59.650135
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -153.188254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.188254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.188254 (E_RNA)
where:
Base-Base interactions energy: -96.191
where: short stacking energy: -44.779
Base-Backbone interact. energy: -0.360
local terms energy: -56.637499
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -161.218661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.218661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.218661 (E_RNA)
where:
Base-Base interactions energy: -102.022
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.597
local terms energy: -58.600331
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -11.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -230.575023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.575023 (E_RNA)
where:
Base-Base interactions energy: -165.686
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.133
local terms energy: -64.755581
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -12.143
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -210.297315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.297315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.297315 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -60.247
Base-Backbone interact. energy: -1.261
local terms energy: -69.984757
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -235.176128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.176128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.176128 (E_RNA)
where:
Base-Base interactions energy: -156.958
where: short stacking energy: -64.063
Base-Backbone interact. energy: -0.322
local terms energy: -77.895928
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -190.231568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.231568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.231568 (E_RNA)
where:
Base-Base interactions energy: -122.161
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.109
local terms energy: -67.961666
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -13.836
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: 5, replica: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -188.951117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.951117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.951117 (E_RNA)
where:
Base-Base interactions energy: -124.651
where: short stacking energy: -61.710
Base-Backbone interact. energy: 0.271
local terms energy: -64.571133
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -4.848
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -177.448429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.448429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.448429 (E_RNA)
where:
Base-Base interactions energy: -121.989
where: short stacking energy: -55.931
Base-Backbone interact. energy: 2.047
local terms energy: -57.507041
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -175.052928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.052928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.052928 (E_RNA)
where:
Base-Base interactions energy: -109.933
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.182
local terms energy: -64.937848
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -167.983299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.983299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.983299 (E_RNA)
where:
Base-Base interactions energy: -111.318
where: short stacking energy: -55.572
Base-Backbone interact. energy: 0.550
local terms energy: -57.215095
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -167.547635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.547635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.547635 (E_RNA)
where:
Base-Base interactions energy: -109.559
where: short stacking energy: -44.975
Base-Backbone interact. energy: -0.867
local terms energy: -57.122233
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.021
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: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -163.486120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.486120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.486120 (E_RNA)
where:
Base-Base interactions energy: -107.101
where: short stacking energy: -52.811
Base-Backbone interact. energy: -0.270
local terms energy: -56.114617
where:
bonds (distance) C4'-P energy: -3.891
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -8.563
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: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -217.802740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802740 (E_RNA)
where:
Base-Base interactions energy: -135.321
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.128
local terms energy: -82.353537
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -17.163
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: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -231.240485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.240485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.240485 (E_RNA)
where:
Base-Base interactions energy: -166.114
where: short stacking energy: -71.970
Base-Backbone interact. energy: -1.076
local terms energy: -64.050112
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -227.260200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.260200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.260200 (E_RNA)
where:
Base-Base interactions energy: -162.837
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.356
local terms energy: -64.067191
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -15.579
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: 418
Temperature: 1.050000
Total energy: -194.831884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.831884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.831884 (E_RNA)
where:
Base-Base interactions energy: -122.371
where: short stacking energy: -67.406
Base-Backbone interact. energy: 2.140
local terms energy: -74.601153
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -181.660263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.660263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.660263 (E_RNA)
where:
Base-Base interactions energy: -118.657
where: short stacking energy: -51.356
Base-Backbone interact. energy: 0.360
local terms energy: -63.363200
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -174.184691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.184691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.184691 (E_RNA)
where:
Base-Base interactions energy: -114.391
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.086
local terms energy: -59.707478
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -181.813274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.813274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.813274 (E_RNA)
where:
Base-Base interactions energy: -122.567
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.065
local terms energy: -59.181101
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -162.508299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.508299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.508299 (E_RNA)
where:
Base-Base interactions energy: -106.081
where: short stacking energy: -50.814
Base-Backbone interact. energy: 0.081
local terms energy: -56.508936
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -157.441331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.441331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.441331 (E_RNA)
where:
Base-Base interactions energy: -101.166
where: short stacking energy: -46.241
Base-Backbone interact. energy: -0.309
local terms energy: -55.966127
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -7.315
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -156.855274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.855274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.855274 (E_RNA)
where:
Base-Base interactions energy: -102.435
where: short stacking energy: -45.334
Base-Backbone interact. energy: -0.350
local terms energy: -54.070119
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -213.034213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.034213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.034213 (E_RNA)
where:
Base-Base interactions energy: -144.856
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.868
local terms energy: -67.310257
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -226.920326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.920326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.920326 (E_RNA)
where:
Base-Base interactions energy: -163.089
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.959
local terms energy: -62.871595
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -227.479439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.479439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.479439 (E_RNA)
where:
Base-Base interactions energy: -157.419
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.277
local terms energy: -69.784087
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -194.954811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.954811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.954811 (E_RNA)
where:
Base-Base interactions energy: -127.700
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.047
local terms energy: -67.208513
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -180.482826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482826 (E_RNA)
where:
Base-Base interactions energy: -116.247
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.283
local terms energy: -63.952971
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -179.958612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.958612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.958612 (E_RNA)
where:
Base-Base interactions energy: -108.265
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.008
local terms energy: -71.685777
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -171.396454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.396454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.396454 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -53.291
Base-Backbone interact. energy: -0.150
local terms energy: -58.567991
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -164.015125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.015125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.015125 (E_RNA)
where:
Base-Base interactions energy: -102.370
where: short stacking energy: -48.356
Base-Backbone interact. energy: -1.246
local terms energy: -60.399368
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -150.970549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.970549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.970549 (E_RNA)
where:
Base-Base interactions energy: -95.464
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.582
local terms energy: -54.924733
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -161.790837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790837 (E_RNA)
where:
Base-Base interactions energy: -103.947
where: short stacking energy: -49.354
Base-Backbone interact. energy: -0.059
local terms energy: -57.784703
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -223.196597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.196597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.196597 (E_RNA)
where:
Base-Base interactions energy: -156.150
where: short stacking energy: -58.829
Base-Backbone interact. energy: 1.103
local terms energy: -68.149070
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -220.611295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.611295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.611295 (E_RNA)
where:
Base-Base interactions energy: -145.871
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.108
local terms energy: -74.632418
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -17.227
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: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -201.420006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.420006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.420006 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -60.785
Base-Backbone interact. energy: -0.833
local terms energy: -64.237998
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -12.527
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: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -225.449785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.449785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.449785 (E_RNA)
where:
Base-Base interactions energy: -157.260
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.209
local terms energy: -67.980909
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -187.640493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640493 (E_RNA)
where:
Base-Base interactions energy: -121.340
where: short stacking energy: -64.747
Base-Backbone interact. energy: -0.049
local terms energy: -66.251809
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -174.372421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.372421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.372421 (E_RNA)
where:
Base-Base interactions energy: -117.819
where: short stacking energy: -45.063
Base-Backbone interact. energy: 0.334
local terms energy: -56.887313
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -185.290978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.290978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.290978 (E_RNA)
where:
Base-Base interactions energy: -116.224
where: short stacking energy: -49.727
Base-Backbone interact. energy: -0.306
local terms energy: -68.760833
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -158.200110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.200110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.200110 (E_RNA)
where:
Base-Base interactions energy: -100.309
where: short stacking energy: -47.123
Base-Backbone interact. energy: -0.122
local terms energy: -57.769319
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -12.648
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: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -149.831213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.831213 (E_RNA)
where:
Base-Base interactions energy: -87.069
where: short stacking energy: -38.760
Base-Backbone interact. energy: -0.848
local terms energy: -61.914020
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -11.160
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: 10, replica: 9
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -167.725282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.725282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.725282 (E_RNA)
where:
Base-Base interactions energy: -99.470
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.182
local terms energy: -68.073429
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -234.870200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.870200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.870200 (E_RNA)
where:
Base-Base interactions energy: -168.087
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.261
local terms energy: -66.522380
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -214.471654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.471654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.471654 (E_RNA)
where:
Base-Base interactions energy: -145.673
where: short stacking energy: -74.828
Base-Backbone interact. energy: -0.013
local terms energy: -68.785589
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -17.219
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: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -219.033355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.033355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.033355 (E_RNA)
where:
Base-Base interactions energy: -147.017
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.505
local terms energy: -71.511207
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -223.861373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.861373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.861373 (E_RNA)
where:
Base-Base interactions energy: -154.091
where: short stacking energy: -76.095
Base-Backbone interact. energy: -0.417
local terms energy: -69.353592
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -180.636146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636146 (E_RNA)
where:
Base-Base interactions energy: -114.922
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.009
local terms energy: -65.704693
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -183.564920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.564920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.564920 (E_RNA)
where:
Base-Base interactions energy: -111.878
where: short stacking energy: -53.969
Base-Backbone interact. energy: 0.746
local terms energy: -72.432136
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -16.287
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: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -168.448166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.448166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.448166 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -57.473
Base-Backbone interact. energy: 0.215
local terms energy: -65.120076
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.797
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: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -166.836174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.836174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.836174 (E_RNA)
where:
Base-Base interactions energy: -108.138
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.121
local terms energy: -58.577393
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -13.790
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -141.023928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.023928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.023928 (E_RNA)
where:
Base-Base interactions energy: -86.325
where: short stacking energy: -39.116
Base-Backbone interact. energy: -0.205
local terms energy: -54.493410
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -162.291558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.291558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.291558 (E_RNA)
where:
Base-Base interactions energy: -105.409
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.096
local terms energy: -56.786237
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -9.607
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: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -216.088703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.088703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.088703 (E_RNA)
where:
Base-Base interactions energy: -142.460
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.028
local terms energy: -73.599959
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -14.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -231.486131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486131 (E_RNA)
where:
Base-Base interactions energy: -168.223
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.365
local terms energy: -62.898687
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -228.706211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.706211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.706211 (E_RNA)
where:
Base-Base interactions energy: -156.742
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.447
local terms energy: -71.518118
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -208.160349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.160349 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.107
local terms energy: -74.917073
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -204.194140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.194140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.194140 (E_RNA)
where:
Base-Base interactions energy: -119.426
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.020
local terms energy: -84.748257
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -12.897
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: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -186.867500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.867500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.867500 (E_RNA)
where:
Base-Base interactions energy: -115.255
where: short stacking energy: -50.774
Base-Backbone interact. energy: -0.178
local terms energy: -71.434575
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -14.054
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: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -174.883520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.883520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.883520 (E_RNA)
where:
Base-Base interactions energy: -107.649
where: short stacking energy: -51.186
Base-Backbone interact. energy: 3.204
local terms energy: -70.438604
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -14.345
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: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -162.815082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.815082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.815082 (E_RNA)
where:
Base-Base interactions energy: -105.986
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.201
local terms energy: -56.627445
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -6.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -158.630204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.630204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.630204 (E_RNA)
where:
Base-Base interactions energy: -107.246
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.204
local terms energy: -51.179525
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -79.455500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455500 (E_RNA)
where:
Base-Base interactions energy: -29.642
where: short stacking energy: -24.816
Base-Backbone interact. energy: 0.136
local terms energy: -49.949672
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -222.981673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981673 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.027
local terms energy: -71.373726
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -239.006451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.006451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.006451 (E_RNA)
where:
Base-Base interactions energy: -164.370
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.484
local terms energy: -74.152577
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -234.364761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.364761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.364761 (E_RNA)
where:
Base-Base interactions energy: -168.047
where: short stacking energy: -81.137
Base-Backbone interact. energy: -0.475
local terms energy: -65.842791
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -196.808126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.808126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.808126 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.247
local terms energy: -70.577394
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -198.989596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.989596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.989596 (E_RNA)
where:
Base-Base interactions energy: -122.106
where: short stacking energy: -70.451
Base-Backbone interact. energy: -0.035
local terms energy: -76.848893
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -21.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -174.503873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.503873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.503873 (E_RNA)
where:
Base-Base interactions energy: -103.852
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.061
local terms energy: -70.590569
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -13.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -173.922269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.922269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.922269 (E_RNA)
where:
Base-Base interactions energy: -112.934
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.344
local terms energy: -60.644823
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -8.246
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: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -163.873741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.873741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.873741 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.498
local terms energy: -60.717621
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -9.438
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -145.800788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.800788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.800788 (E_RNA)
where:
Base-Base interactions energy: -93.455
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.121
local terms energy: -52.225177
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -91.570404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.570404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.570404 (E_RNA)
where:
Base-Base interactions energy: -39.275
where: short stacking energy: -37.865
Base-Backbone interact. energy: 0.057
local terms energy: -52.352433
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -240.691683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.691683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.691683 (E_RNA)
where:
Base-Base interactions energy: -167.854
where: short stacking energy: -71.230
Base-Backbone interact. energy: -0.581
local terms energy: -72.256967
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -15.508
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -216.941602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.941602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.941602 (E_RNA)
where:
Base-Base interactions energy: -150.034
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.296
local terms energy: -66.611447
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -204.167409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.167409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.167409 (E_RNA)
where:
Base-Base interactions energy: -135.665
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.083
local terms energy: -68.419090
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -220.430256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430256 (E_RNA)
where:
Base-Base interactions energy: -149.674
where: short stacking energy: -64.108
Base-Backbone interact. energy: -1.334
local terms energy: -69.422987
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -201.340770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340770 (E_RNA)
where:
Base-Base interactions energy: -125.849
where: short stacking energy: -61.646
Base-Backbone interact. energy: 0.712
local terms energy: -76.203744
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -187.316482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.316482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.316482 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.163
local terms energy: -67.541907
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -163.949486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.949486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.949486 (E_RNA)
where:
Base-Base interactions energy: -109.997
where: short stacking energy: -49.348
Base-Backbone interact. energy: 0.712
local terms energy: -54.664896
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -9.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -156.226916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.226916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.226916 (E_RNA)
where:
Base-Base interactions energy: -97.524
where: short stacking energy: -45.264
Base-Backbone interact. energy: -0.334
local terms energy: -58.368822
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -175.120302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.120302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.120302 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.336
local terms energy: -56.858389
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -14.347
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: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -78.224992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.224992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.224992 (E_RNA)
where:
Base-Base interactions energy: -36.568
where: short stacking energy: -23.225
Base-Backbone interact. energy: -0.032
local terms energy: -41.625264
where:
bonds (distance) C4'-P energy: -8.819
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -9.400
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: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -243.870513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.870513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.870513 (E_RNA)
where:
Base-Base interactions energy: -171.959
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.614
local terms energy: -71.297343
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -13.791
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: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -205.599610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.599610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.599610 (E_RNA)
where:
Base-Base interactions energy: -137.871
where: short stacking energy: -69.706
Base-Backbone interact. energy: -0.068
local terms energy: -67.660299
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -218.840865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.840865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.840865 (E_RNA)
where:
Base-Base interactions energy: -146.496
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.069
local terms energy: -72.276654
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -11.995
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: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -232.600803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.600803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.600803 (E_RNA)
where:
Base-Base interactions energy: -159.064
where: short stacking energy: -68.535
Base-Backbone interact. energy: -1.149
local terms energy: -72.387571
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -17.492
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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -210.346873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.346873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.346873 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.027
local terms energy: -69.079324
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -18.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -179.986127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.986127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.986127 (E_RNA)
where:
Base-Base interactions energy: -118.869
where: short stacking energy: -50.997
Base-Backbone interact. energy: 1.138
local terms energy: -62.254793
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -11.675
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -177.644733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.644733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.644733 (E_RNA)
where:
Base-Base interactions energy: -115.172
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.737
local terms energy: -61.736213
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -167.597394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.597394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.597394 (E_RNA)
where:
Base-Base interactions energy: -111.930
where: short stacking energy: -57.685
Base-Backbone interact. energy: -0.248
local terms energy: -55.418949
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -161.929682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.929682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.929682 (E_RNA)
where:
Base-Base interactions energy: -105.223
where: short stacking energy: -46.077
Base-Backbone interact. energy: 2.682
local terms energy: -59.387923
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -79.428754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.428754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.428754 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.536
local terms energy: -45.853578
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -6.513
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -240.964866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.964866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.964866 (E_RNA)
where:
Base-Base interactions energy: -174.500
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.487
local terms energy: -65.977503
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -15.267
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: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -212.648178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.648178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.648178 (E_RNA)
where:
Base-Base interactions energy: -136.881
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.078
local terms energy: -75.689372
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.188
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: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -223.641929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.641929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.641929 (E_RNA)
where:
Base-Base interactions energy: -157.413
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.075
local terms energy: -66.153728
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -206.032008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.032008 (E_RNA)
where:
Base-Base interactions energy: -130.257
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.003
local terms energy: -75.772681
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -12.601
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -187.081435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.081435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.081435 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -60.099
Base-Backbone interact. energy: -1.151
local terms energy: -65.773560
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -189.720186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.720186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.720186 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.047
local terms energy: -68.093627
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -168.336965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.336965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.336965 (E_RNA)
where:
Base-Base interactions energy: -109.683
where: short stacking energy: -51.266
Base-Backbone interact. energy: 0.626
local terms energy: -59.279948
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.280
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: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -166.343489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.343489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.343489 (E_RNA)
where:
Base-Base interactions energy: -105.910
where: short stacking energy: -53.164
Base-Backbone interact. energy: -0.433
local terms energy: -60.000869
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -164.597207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.597207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.597207 (E_RNA)
where:
Base-Base interactions energy: -104.609
where: short stacking energy: -47.962
Base-Backbone interact. energy: -0.036
local terms energy: -59.951864
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.663549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.663549 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -31.904
Base-Backbone interact. energy: -0.188
local terms energy: -57.571547
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -240.006399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.006399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.006399 (E_RNA)
where:
Base-Base interactions energy: -163.907
where: short stacking energy: -72.563
Base-Backbone interact. energy: -0.558
local terms energy: -75.541405
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -227.464586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.464586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.464586 (E_RNA)
where:
Base-Base interactions energy: -154.166
where: short stacking energy: -65.904
Base-Backbone interact. energy: 0.226
local terms energy: -73.524967
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -17.779
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: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -212.071549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071549 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -62.085
Base-Backbone interact. energy: -0.286
local terms energy: -70.243021
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -14.982
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: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -196.112082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.112082 (E_RNA)
where:
Base-Base interactions energy: -127.392
where: short stacking energy: -66.088
Base-Backbone interact. energy: -0.028
local terms energy: -68.691628
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -18.025
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: 7
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -188.041956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.041956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.041956 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.084
local terms energy: -70.388361
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -187.388500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.388500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.388500 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.057
local terms energy: -69.878064
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -13.634
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -157.869179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.869179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.869179 (E_RNA)
where:
Base-Base interactions energy: -100.171
where: short stacking energy: -45.999
Base-Backbone interact. energy: 0.691
local terms energy: -58.388829
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -163.045943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.045943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.045943 (E_RNA)
where:
Base-Base interactions energy: -97.087
where: short stacking energy: -44.750
Base-Backbone interact. energy: -0.140
local terms energy: -65.818734
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -9.827
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: 427
Temperature: 1.300000
Total energy: -161.587515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.587515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.587515 (E_RNA)
where:
Base-Base interactions energy: -106.888
where: short stacking energy: -47.476
Base-Backbone interact. energy: 0.433
local terms energy: -55.133076
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -101.736309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.736309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.736309 (E_RNA)
where:
Base-Base interactions energy: -51.051
where: short stacking energy: -24.104
Base-Backbone interact. energy: 0.745
local terms energy: -51.429517
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -234.905295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.905295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.905295 (E_RNA)
where:
Base-Base interactions energy: -168.083
where: short stacking energy: -67.442
Base-Backbone interact. energy: -0.439
local terms energy: -66.383510
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -221.101485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101485 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.019
local terms energy: -70.031727
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -209.221808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.221808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.221808 (E_RNA)
where:
Base-Base interactions energy: -133.194
where: short stacking energy: -62.619
Base-Backbone interact. energy: -0.145
local terms energy: -75.882584
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -17.336
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: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -195.927753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927753 (E_RNA)
where:
Base-Base interactions energy: -121.358
where: short stacking energy: -60.992
Base-Backbone interact. energy: 0.438
local terms energy: -75.008355
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -14.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -195.580141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.580141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.580141 (E_RNA)
where:
Base-Base interactions energy: -124.281
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.875
local terms energy: -70.423943
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -13.346
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: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -182.009105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.009105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.009105 (E_RNA)
where:
Base-Base interactions energy: -114.128
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.423
local terms energy: -67.458304
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -172.837699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.837699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.837699 (E_RNA)
where:
Base-Base interactions energy: -107.546
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.037
local terms energy: -65.255519
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -16.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -165.952744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.952744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.952744 (E_RNA)
where:
Base-Base interactions energy: -106.822
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.133
local terms energy: -58.997691
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -10.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -155.139673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.139673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.139673 (E_RNA)
where:
Base-Base interactions energy: -102.490
where: short stacking energy: -42.142
Base-Backbone interact. energy: 1.816
local terms energy: -54.465726
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -87.435124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.435124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.435124 (E_RNA)
where:
Base-Base interactions energy: -37.533
where: short stacking energy: -36.789
Base-Backbone interact. energy: -0.008
local terms energy: -49.894723
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -8.539
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: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -238.074513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.074513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.074513 (E_RNA)
where:
Base-Base interactions energy: -168.889
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.549
local terms energy: -68.635906
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -211.519278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.519278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.519278 (E_RNA)
where:
Base-Base interactions energy: -145.429
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.008
local terms energy: -66.081755
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -223.706582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.706582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.706582 (E_RNA)
where:
Base-Base interactions energy: -142.384
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.006
local terms energy: -81.316372
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -23.146
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -182.371704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.371704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.371704 (E_RNA)
where:
Base-Base interactions energy: -118.385
where: short stacking energy: -63.755
Base-Backbone interact. energy: -0.534
local terms energy: -63.452276
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -6.409
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: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -189.639805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.639805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.639805 (E_RNA)
where:
Base-Base interactions energy: -121.014
where: short stacking energy: -59.354
Base-Backbone interact. energy: 1.062
local terms energy: -69.687091
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -178.169141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.169141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.169141 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.172
local terms energy: -65.945147
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -174.530160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.530160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.530160 (E_RNA)
where:
Base-Base interactions energy: -111.840
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.396
local terms energy: -62.294615
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -167.214513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.214513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.214513 (E_RNA)
where:
Base-Base interactions energy: -107.273
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.005
local terms energy: -59.936472
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -8.552
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.692
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: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -168.174043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.174043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.174043 (E_RNA)
where:
Base-Base interactions energy: -109.339
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.307
local terms energy: -58.527749
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -8.358
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -78.260520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.260520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.260520 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -38.225
Base-Backbone interact. energy: 1.387
local terms energy: -33.109753
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -1.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -215.372193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.372193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.372193 (E_RNA)
where:
Base-Base interactions energy: -143.157
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.742
local terms energy: -71.473060
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -236.018186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.018186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.018186 (E_RNA)
where:
Base-Base interactions energy: -164.262
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.868
local terms energy: -70.888444
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -208.677408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.677408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.677408 (E_RNA)
where:
Base-Base interactions energy: -135.675
where: short stacking energy: -61.375
Base-Backbone interact. energy: -0.145
local terms energy: -72.857713
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -186.841374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.841374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.841374 (E_RNA)
where:
Base-Base interactions energy: -119.895
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.056
local terms energy: -66.891037
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -13.116
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -189.137511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137511 (E_RNA)
where:
Base-Base interactions energy: -118.984
where: short stacking energy: -54.314
Base-Backbone interact. energy: -0.041
local terms energy: -70.112164
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -188.860986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.860986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.860986 (E_RNA)
where:
Base-Base interactions energy: -123.465
where: short stacking energy: -56.080
Base-Backbone interact. energy: -0.232
local terms energy: -65.163311
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -166.459969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.459969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.459969 (E_RNA)
where:
Base-Base interactions energy: -104.593
where: short stacking energy: -51.202
Base-Backbone interact. energy: -0.007
local terms energy: -61.859756
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -9.824
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: 430
Temperature: 1.250000
Total energy: -176.205085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.205085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.205085 (E_RNA)
where:
Base-Base interactions energy: -113.913
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.404
local terms energy: -61.888250
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -14.314
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: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -179.138243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.138243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.138243 (E_RNA)
where:
Base-Base interactions energy: -117.444
where: short stacking energy: -61.417
Base-Backbone interact. energy: 3.906
local terms energy: -65.599609
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -82.582296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.582296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.582296 (E_RNA)
where:
Base-Base interactions energy: -38.222
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.373
local terms energy: -43.988240
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -223.590484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.590484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.590484 (E_RNA)
where:
Base-Base interactions energy: -145.979
where: short stacking energy: -78.914
Base-Backbone interact. energy: -0.008
local terms energy: -77.603562
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -19.751
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -242.360937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.360937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.360937 (E_RNA)
where:
Base-Base interactions energy: -172.747
where: short stacking energy: -66.488
Base-Backbone interact. energy: -1.161
local terms energy: -68.453052
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -213.521922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.521922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.521922 (E_RNA)
where:
Base-Base interactions energy: -140.697
where: short stacking energy: -67.476
Base-Backbone interact. energy: 0.104
local terms energy: -72.929736
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -202.571453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.571453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.571453 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -70.083
Base-Backbone interact. energy: -0.023
local terms energy: -75.589791
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -181.477508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.477508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.477508 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -57.918
Base-Backbone interact. energy: 2.874
local terms energy: -65.951537
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -186.489410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.489410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.489410 (E_RNA)
where:
Base-Base interactions energy: -124.084
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.001
local terms energy: -62.404687
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -14.742
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: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -176.708968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.708968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.708968 (E_RNA)
where:
Base-Base interactions energy: -116.072
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.105
local terms energy: -60.532323
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -173.523459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.523459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.523459 (E_RNA)
where:
Base-Base interactions energy: -117.461
where: short stacking energy: -51.205
Base-Backbone interact. energy: -0.161
local terms energy: -55.901177
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -11.438
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: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -167.552445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.552445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.552445 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -53.692
Base-Backbone interact. energy: -0.080
local terms energy: -60.546348
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -82.948814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.948814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.948814 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -29.623
Base-Backbone interact. energy: -0.161
local terms energy: -50.260100
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -5.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -234.693255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.693255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.693255 (E_RNA)
where:
Base-Base interactions energy: -165.069
where: short stacking energy: -58.872
Base-Backbone interact. energy: 0.925
local terms energy: -70.549482
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -216.739015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.739015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.739015 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.068
local terms energy: -69.719994
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -197.737027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.737027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.737027 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.001
local terms energy: -81.247557
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -196.016086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.016086 (E_RNA)
where:
Base-Base interactions energy: -126.667
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.440
local terms energy: -68.909084
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -15.832
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: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -193.439776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.439776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.439776 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -69.041
Base-Backbone interact. energy: 2.361
local terms energy: -69.969412
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -184.266179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.266179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.266179 (E_RNA)
where:
Base-Base interactions energy: -117.438
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.349
local terms energy: -66.478359
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -175.271165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.271165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.271165 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -52.754
Base-Backbone interact. energy: 1.820
local terms energy: -55.881841
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -10.102
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -8.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -170.447499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.447499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.447499 (E_RNA)
where:
Base-Base interactions energy: -100.510
where: short stacking energy: -53.576
Base-Backbone interact. energy: 1.288
local terms energy: -71.225751
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -145.022612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.022612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.022612 (E_RNA)
where:
Base-Base interactions energy: -89.655
where: short stacking energy: -45.702
Base-Backbone interact. energy: -0.480
local terms energy: -54.888036
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -82.191327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.191327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.191327 (E_RNA)
where:
Base-Base interactions energy: -32.822
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.535
local terms energy: -48.834408
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -228.135419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.135419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.135419 (E_RNA)
where:
Base-Base interactions energy: -158.408
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.348
local terms energy: -69.379428
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -211.642231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.642231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.642231 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.095
local terms energy: -71.905606
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -204.370843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.370843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.370843 (E_RNA)
where:
Base-Base interactions energy: -134.962
where: short stacking energy: -75.054
Base-Backbone interact. energy: -0.011
local terms energy: -69.398439
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -190.410413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.410413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.410413 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.081
local terms energy: -61.475083
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -12.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -178.933399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.933399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.933399 (E_RNA)
where:
Base-Base interactions energy: -113.042
where: short stacking energy: -62.738
Base-Backbone interact. energy: -0.344
local terms energy: -65.547427
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -176.786510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.786510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.786510 (E_RNA)
where:
Base-Base interactions energy: -108.740
where: short stacking energy: -51.656
Base-Backbone interact. energy: -0.983
local terms energy: -67.063191
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -182.834295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.834295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.834295 (E_RNA)
where:
Base-Base interactions energy: -126.219
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.125
local terms energy: -56.490424
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -10.885
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -150.086169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.086169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.086169 (E_RNA)
where:
Base-Base interactions energy: -98.333
where: short stacking energy: -49.994
Base-Backbone interact. energy: 0.187
local terms energy: -51.940196
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -168.475129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.475129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.475129 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.011
local terms energy: -66.676892
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -79.228353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.228353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.228353 (E_RNA)
where:
Base-Base interactions energy: -34.814
where: short stacking energy: -25.137
Base-Backbone interact. energy: -0.299
local terms energy: -44.115365
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -2.406
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -230.060172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.060172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.060172 (E_RNA)
where:
Base-Base interactions energy: -154.251
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.085
local terms energy: -75.724499
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.894
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: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -218.441116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.441116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.441116 (E_RNA)
where:
Base-Base interactions energy: -155.879
where: short stacking energy: -60.198
Base-Backbone interact. energy: 0.223
local terms energy: -62.785632
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -188.023109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.023109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.023109 (E_RNA)
where:
Base-Base interactions energy: -119.319
where: short stacking energy: -51.173
Base-Backbone interact. energy: 0.553
local terms energy: -69.256669
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -14.980
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: 6
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -203.218570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.218570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.218570 (E_RNA)
where:
Base-Base interactions energy: -143.512
where: short stacking energy: -61.697
Base-Backbone interact. energy: 0.134
local terms energy: -59.841214
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -14.578
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: 5, replica: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -185.054678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.054678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.054678 (E_RNA)
where:
Base-Base interactions energy: -112.664
where: short stacking energy: -51.527
Base-Backbone interact. energy: -0.012
local terms energy: -72.378831
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -14.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -173.763076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.763076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.763076 (E_RNA)
where:
Base-Base interactions energy: -106.139
where: short stacking energy: -56.554
Base-Backbone interact. energy: -0.223
local terms energy: -67.400395
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -11.060
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: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -181.315563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.315563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.315563 (E_RNA)
where:
Base-Base interactions energy: -124.802
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.749
local terms energy: -55.764382
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -13.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -176.896131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.896131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.896131 (E_RNA)
where:
Base-Base interactions energy: -110.202
where: short stacking energy: -48.164
Base-Backbone interact. energy: 0.268
local terms energy: -66.962460
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -92.226464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.226464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.226464 (E_RNA)
where:
Base-Base interactions energy: -35.912
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.091
local terms energy: -56.223573
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -130.951102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.951102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.951102 (E_RNA)
where:
Base-Base interactions energy: -82.216
where: short stacking energy: -41.814
Base-Backbone interact. energy: -0.360
local terms energy: -48.374711
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -215.532381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.532381 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.005
local terms energy: -71.240555
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -215.655800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.655800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.655800 (E_RNA)
where:
Base-Base interactions energy: -154.215
where: short stacking energy: -58.071
Base-Backbone interact. energy: 0.180
local terms energy: -61.620999
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -12.470
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -199.886225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.886225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.886225 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.118
local terms energy: -60.581956
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -7.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -193.294155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294155 (E_RNA)
where:
Base-Base interactions energy: -124.962
where: short stacking energy: -62.189
Base-Backbone interact. energy: -0.012
local terms energy: -68.320537
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -16.863
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -200.119181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.119181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119181 (E_RNA)
where:
Base-Base interactions energy: -128.074
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.051
local terms energy: -71.994161
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -185.356234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.356234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.356234 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.532
local terms energy: -67.874469
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -183.046456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.046456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.046456 (E_RNA)
where:
Base-Base interactions energy: -119.014
where: short stacking energy: -61.261
Base-Backbone interact. energy: 0.314
local terms energy: -64.346140
where:
bonds (distance) C4'-P energy: -6.802
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -160.852536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.852536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.852536 (E_RNA)
where:
Base-Base interactions energy: -100.280
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.232
local terms energy: -60.341050
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -89.642262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.642262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.642262 (E_RNA)
where:
Base-Base interactions energy: -46.364
where: short stacking energy: -46.364
Base-Backbone interact. energy: 0.518
local terms energy: -43.796870
where:
bonds (distance) C4'-P energy: -8.355
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -4.398
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: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -79.308956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.308956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.308956 (E_RNA)
where:
Base-Base interactions energy: -31.082
where: short stacking energy: -23.528
Base-Backbone interact. energy: -0.240
local terms energy: -47.986370
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -232.515402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515402 (E_RNA)
where:
Base-Base interactions energy: -164.394
where: short stacking energy: -66.428
Base-Backbone interact. energy: -0.217
local terms energy: -67.903959
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -7.203
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: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -204.010826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.010826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.010826 (E_RNA)
where:
Base-Base interactions energy: -138.242
where: short stacking energy: -69.120
Base-Backbone interact. energy: 0.264
local terms energy: -66.032833
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -17.138
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: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -214.219977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.219977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.219977 (E_RNA)
where:
Base-Base interactions energy: -144.450
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.262
local terms energy: -69.507586
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.432305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.432305 (E_RNA)
where:
Base-Base interactions energy: -147.686
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.063
local terms energy: -66.682604
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -13.584
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: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -181.016898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.016898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.016898 (E_RNA)
where:
Base-Base interactions energy: -111.407
where: short stacking energy: -56.234
Base-Backbone interact. energy: -0.236
local terms energy: -69.374396
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -171.774382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.774382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.774382 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -52.545
Base-Backbone interact. energy: 0.070
local terms energy: -60.418693
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -9.154
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: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -170.484467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484467 (E_RNA)
where:
Base-Base interactions energy: -108.529
where: short stacking energy: -50.519
Base-Backbone interact. energy: -0.175
local terms energy: -61.780345
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -167.028258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.028258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.028258 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.035
local terms energy: -52.429735
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -89.453708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.453708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.453708 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.103
local terms energy: -56.781874
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -87.548435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.548435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.548435 (E_RNA)
where:
Base-Base interactions energy: -47.881
where: short stacking energy: -21.662
Base-Backbone interact. energy: 1.731
local terms energy: -41.398463
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -7.452
flat angles P-C4'-P energy: -7.377
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -227.089876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089876 (E_RNA)
where:
Base-Base interactions energy: -157.837
where: short stacking energy: -66.214
Base-Backbone interact. energy: 0.368
local terms energy: -69.620903
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -215.451724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.451724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.451724 (E_RNA)
where:
Base-Base interactions energy: -143.980
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.177
local terms energy: -71.294138
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -209.039322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.039322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.039322 (E_RNA)
where:
Base-Base interactions energy: -140.491
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.132
local terms energy: -68.415537
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -194.279288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.279288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.279288 (E_RNA)
where:
Base-Base interactions energy: -124.297
where: short stacking energy: -59.322
Base-Backbone interact. energy: -0.757
local terms energy: -69.224783
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -196.706548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.706548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706548 (E_RNA)
where:
Base-Base interactions energy: -129.453
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.130
local terms energy: -67.123048
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -181.714137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.714137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.714137 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.278
local terms energy: -63.652733
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -169.615410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.615410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.615410 (E_RNA)
where:
Base-Base interactions energy: -109.495
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.088
local terms energy: -60.032319
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -161.838977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.838977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.838977 (E_RNA)
where:
Base-Base interactions energy: -110.078
where: short stacking energy: -34.469
Base-Backbone interact. energy: 0.516
local terms energy: -52.277193
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -93.186877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.186877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.186877 (E_RNA)
where:
Base-Base interactions energy: -38.796
where: short stacking energy: -36.087
Base-Backbone interact. energy: -0.128
local terms energy: -54.263116
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.015757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.015757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.015757 (E_RNA)
where:
Base-Base interactions energy: -27.379
where: short stacking energy: -17.530
Base-Backbone interact. energy: 0.179
local terms energy: -49.815318
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -227.688689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.688689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688689 (E_RNA)
where:
Base-Base interactions energy: -157.480
where: short stacking energy: -68.537
Base-Backbone interact. energy: -0.921
local terms energy: -69.287848
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -223.110809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.110809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.110809 (E_RNA)
where:
Base-Base interactions energy: -150.193
where: short stacking energy: -68.497
Base-Backbone interact. energy: 0.447
local terms energy: -73.364739
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -210.843470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843470 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -54.413
Base-Backbone interact. energy: 0.856
local terms energy: -66.727612
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -203.043101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.043101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.043101 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -63.572
Base-Backbone interact. energy: 0.073
local terms energy: -74.348997
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -180.436561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.436561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.436561 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.138
local terms energy: -65.264967
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -185.324208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.324208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.324208 (E_RNA)
where:
Base-Base interactions energy: -124.928
where: short stacking energy: -54.170
Base-Backbone interact. energy: 1.038
local terms energy: -61.434168
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -172.119930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.119930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.119930 (E_RNA)
where:
Base-Base interactions energy: -114.923
where: short stacking energy: -52.589
Base-Backbone interact. energy: 0.092
local terms energy: -57.289178
where:
bonds (distance) C4'-P energy: -7.175
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -11.817
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -170.284169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.284169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.284169 (E_RNA)
where:
Base-Base interactions energy: -109.513
where: short stacking energy: -50.474
Base-Backbone interact. energy: -0.425
local terms energy: -60.346580
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -9.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -91.056747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056747 (E_RNA)
where:
Base-Base interactions energy: -38.790
where: short stacking energy: -38.790
Base-Backbone interact. energy: -0.099
local terms energy: -52.167503
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -88.079629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079629 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.511
local terms energy: -52.149931
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -223.765403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765403 (E_RNA)
where:
Base-Base interactions energy: -149.346
where: short stacking energy: -61.845
Base-Backbone interact. energy: -0.287
local terms energy: -74.132657
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -218.369950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.369950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.369950 (E_RNA)
where:
Base-Base interactions energy: -140.388
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.104
local terms energy: -77.877585
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.499
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: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -203.981976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.981976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981976 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.560
local terms energy: -61.179665
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -185.236218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.236218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.236218 (E_RNA)
where:
Base-Base interactions energy: -116.830
where: short stacking energy: -58.228
Base-Backbone interact. energy: 0.299
local terms energy: -68.704613
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -195.005747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.005747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.005747 (E_RNA)
where:
Base-Base interactions energy: -133.724
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.610
local terms energy: -60.671449
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -181.709647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.709647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.709647 (E_RNA)
where:
Base-Base interactions energy: -121.564
where: short stacking energy: -63.688
Base-Backbone interact. energy: 0.701
local terms energy: -60.846358
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -183.040777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.040777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.040777 (E_RNA)
where:
Base-Base interactions energy: -119.647
where: short stacking energy: -49.869
Base-Backbone interact. energy: -0.036
local terms energy: -63.357428
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -170.342010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.342010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.342010 (E_RNA)
where:
Base-Base interactions energy: -111.780
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.037
local terms energy: -58.524215
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -12.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -79.465830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.465830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.465830 (E_RNA)
where:
Base-Base interactions energy: -33.553
where: short stacking energy: -31.197
Base-Backbone interact. energy: 0.034
local terms energy: -45.947026
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -5.679
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -77.130245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.130245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.130245 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.246
local terms energy: -45.628974
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: 2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -215.122805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122805 (E_RNA)
where:
Base-Base interactions energy: -139.949
where: short stacking energy: -74.507
Base-Backbone interact. energy: -0.551
local terms energy: -74.622637
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -23.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -221.532178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.532178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.532178 (E_RNA)
where:
Base-Base interactions energy: -156.370
where: short stacking energy: -48.249
Base-Backbone interact. energy: -0.501
local terms energy: -64.661095
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -215.023226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.023226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.023226 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.127
local terms energy: -76.469179
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -11.426
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: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -193.346636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346636 (E_RNA)
where:
Base-Base interactions energy: -122.711
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.374
local terms energy: -70.261797
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -183.198628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.198628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.198628 (E_RNA)
where:
Base-Base interactions energy: -114.637
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.019
local terms energy: -68.543335
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -191.325789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.325789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.325789 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.008
local terms energy: -67.706055
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -170.578967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.578967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.578967 (E_RNA)
where:
Base-Base interactions energy: -108.196
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.428
local terms energy: -61.954729
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -172.863052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.863052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.863052 (E_RNA)
where:
Base-Base interactions energy: -117.803
where: short stacking energy: -52.648
Base-Backbone interact. energy: -0.018
local terms energy: -55.042454
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -87.057184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.057184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.057184 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -38.303
Base-Backbone interact. energy: -0.101
local terms energy: -46.972583
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -8.193
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -86.905597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905597 (E_RNA)
where:
Base-Base interactions energy: -36.852
where: short stacking energy: -36.852
Base-Backbone interact. energy: -1.270
local terms energy: -48.783578
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: 0.153
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -216.459697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.459697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.459697 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -74.695
Base-Backbone interact. energy: -0.607
local terms energy: -76.142756
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -235.177139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.177139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.177139 (E_RNA)
where:
Base-Base interactions energy: -167.055
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.580
local terms energy: -67.542341
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.682
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: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -193.897733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.897733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.897733 (E_RNA)
where:
Base-Base interactions energy: -122.228
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.004
local terms energy: -71.665542
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -182.129661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.129661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.129661 (E_RNA)
where:
Base-Base interactions energy: -113.000
where: short stacking energy: -55.807
Base-Backbone interact. energy: -0.026
local terms energy: -69.104308
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -184.817308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.817308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.817308 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -54.925
Base-Backbone interact. energy: -0.057
local terms energy: -73.074883
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -186.382335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.382335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.382335 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.198
local terms energy: -70.553091
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -175.682303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.682303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.682303 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.227
local terms energy: -61.690454
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -172.000533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000533 (E_RNA)
where:
Base-Base interactions energy: -109.962
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.312
local terms energy: -61.727177
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -85.818726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.818726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.818726 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.569
local terms energy: -49.655980
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -7.455
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: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -86.099914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.099914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.099914 (E_RNA)
where:
Base-Base interactions energy: -32.534
where: short stacking energy: -32.534
Base-Backbone interact. energy: -0.150
local terms energy: -53.416153
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -8.587
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -231.315825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.315825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.315825 (E_RNA)
where:
Base-Base interactions energy: -163.614
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.830
local terms energy: -66.871681
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -13.672
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: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -205.255954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.255954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.255954 (E_RNA)
where:
Base-Base interactions energy: -127.333
where: short stacking energy: -65.581
Base-Backbone interact. energy: -0.078
local terms energy: -77.845689
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -14.006
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: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -217.404220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.404220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.404220 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.022
local terms energy: -66.331105
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -188.538747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.538747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.538747 (E_RNA)
where:
Base-Base interactions energy: -128.770
where: short stacking energy: -64.290
Base-Backbone interact. energy: 0.063
local terms energy: -59.831484
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -190.882702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882702 (E_RNA)
where:
Base-Base interactions energy: -118.258
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.124
local terms energy: -72.500665
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -175.661491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.661491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.661491 (E_RNA)
where:
Base-Base interactions energy: -115.155
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.013
local terms energy: -60.493074
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -177.772887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.772887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.772887 (E_RNA)
where:
Base-Base interactions energy: -114.090
where: short stacking energy: -57.006
Base-Backbone interact. energy: -0.480
local terms energy: -63.202429
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -15.950
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: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -154.201016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.201016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.201016 (E_RNA)
where:
Base-Base interactions energy: -92.511
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.761
local terms energy: -60.928911
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -89.030383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.030383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.030383 (E_RNA)
where:
Base-Base interactions energy: -41.099
where: short stacking energy: -30.423
Base-Backbone interact. energy: -0.479
local terms energy: -47.451667
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -79.093783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.093783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.093783 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -31.522
Base-Backbone interact. energy: -0.785
local terms energy: -41.220708
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: 2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -240.503862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.503862 (E_RNA)
where:
Base-Base interactions energy: -166.367
where: short stacking energy: -60.866
Base-Backbone interact. energy: -1.736
local terms energy: -72.400754
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -214.191289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.191289 (E_RNA)
where:
Base-Base interactions energy: -140.292
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.477
local terms energy: -73.422228
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -207.309316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.309316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.309316 (E_RNA)
where:
Base-Base interactions energy: -143.278
where: short stacking energy: -64.216
Base-Backbone interact. energy: 0.001
local terms energy: -64.031584
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -5.745
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -197.104233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104233 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.001
local terms energy: -74.621676
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -190.386830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386830 (E_RNA)
where:
Base-Base interactions energy: -123.015
where: short stacking energy: -56.976
Base-Backbone interact. energy: -0.431
local terms energy: -66.940809
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -13.386
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: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -180.327403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.327403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.327403 (E_RNA)
where:
Base-Base interactions energy: -118.668
where: short stacking energy: -49.833
Base-Backbone interact. energy: 0.112
local terms energy: -61.771273
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -10.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -179.450779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450779 (E_RNA)
where:
Base-Base interactions energy: -118.327
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.477
local terms energy: -60.646504
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -170.115782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.115782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.115782 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -57.493
Base-Backbone interact. energy: 0.165
local terms energy: -50.001762
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -170.771008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.771008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.771008 (E_RNA)
where:
Base-Base interactions energy: -103.959
where: short stacking energy: -45.402
Base-Backbone interact. energy: -1.067
local terms energy: -65.745258
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -77.708083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.708083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.708083 (E_RNA)
where:
Base-Base interactions energy: -25.341
where: short stacking energy: -25.341
Base-Backbone interact. energy: -0.114
local terms energy: -52.253543
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -236.587537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.587537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.587537 (E_RNA)
where:
Base-Base interactions energy: -160.473
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.340
local terms energy: -75.774118
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -214.820420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.820420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.820420 (E_RNA)
where:
Base-Base interactions energy: -140.886
where: short stacking energy: -69.656
Base-Backbone interact. energy: -0.106
local terms energy: -73.828610
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -12.092
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -202.203434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203434 (E_RNA)
where:
Base-Base interactions energy: -132.869
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.575
local terms energy: -68.759696
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -185.027807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.027807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.027807 (E_RNA)
where:
Base-Base interactions energy: -121.498
where: short stacking energy: -52.381
Base-Backbone interact. energy: 0.812
local terms energy: -64.341638
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -185.958530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.958530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.958530 (E_RNA)
where:
Base-Base interactions energy: -117.381
where: short stacking energy: -61.428
Base-Backbone interact. energy: -0.333
local terms energy: -68.244535
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -193.895399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.895399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.895399 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -53.356
Base-Backbone interact. energy: -0.245
local terms energy: -64.742335
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -178.587477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.587477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.587477 (E_RNA)
where:
Base-Base interactions energy: -119.589
where: short stacking energy: -56.406
Base-Backbone interact. energy: -0.118
local terms energy: -58.880200
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -174.432163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.432163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.432163 (E_RNA)
where:
Base-Base interactions energy: -107.492
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.836
local terms energy: -66.104392
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -13.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -159.618330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.618330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.618330 (E_RNA)
where:
Base-Base interactions energy: -99.915
where: short stacking energy: -47.589
Base-Backbone interact. energy: 0.098
local terms energy: -59.800868
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -5.484
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: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -103.969329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.969329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.969329 (E_RNA)
where:
Base-Base interactions energy: -58.210
where: short stacking energy: -30.163
Base-Backbone interact. energy: -0.102
local terms energy: -45.657584
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -233.258005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.258005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.258005 (E_RNA)
where:
Base-Base interactions energy: -163.334
where: short stacking energy: -65.579
Base-Backbone interact. energy: -0.295
local terms energy: -69.629594
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -7.886
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: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -221.549476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.549476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.549476 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.397
local terms energy: -78.532665
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -19.301
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: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -204.882059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.882059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.882059 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.005
local terms energy: -66.589915
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -193.304481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304481 (E_RNA)
where:
Base-Base interactions energy: -127.728
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.004
local terms energy: -65.572357
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -185.372938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.372938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.372938 (E_RNA)
where:
Base-Base interactions energy: -118.028
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.011
local terms energy: -67.333352
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -10.780
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: 445
Temperature: 1.150000
Total energy: -177.581749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.581749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.581749 (E_RNA)
where:
Base-Base interactions energy: -110.507
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.023
local terms energy: -67.051617
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -14.057
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: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -170.736839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.736839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.736839 (E_RNA)
where:
Base-Base interactions energy: -108.333
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.051
local terms energy: -62.353172
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -9.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -169.142577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.142577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142577 (E_RNA)
where:
Base-Base interactions energy: -111.328
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.034
local terms energy: -57.781011
where:
bonds (distance) C4'-P energy: -8.219
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -12.750
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: 9, replica: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -177.464845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.464845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.464845 (E_RNA)
where:
Base-Base interactions energy: -112.629
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.304
local terms energy: -64.532037
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -14.252
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: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -96.878207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.878207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.878207 (E_RNA)
where:
Base-Base interactions energy: -48.410
where: short stacking energy: -22.745
Base-Backbone interact. energy: 0.789
local terms energy: -49.257374
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -4.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -216.904501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.904501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.904501 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.313
local terms energy: -78.528760
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -242.768392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.768392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.768392 (E_RNA)
where:
Base-Base interactions energy: -164.662
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.321
local terms energy: -77.785275
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -205.862442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.862442 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.003
local terms energy: -68.735159
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -188.176648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.176648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.176648 (E_RNA)
where:
Base-Base interactions energy: -116.515
where: short stacking energy: -55.936
Base-Backbone interact. energy: 0.564
local terms energy: -72.225618
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -182.773323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.773323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.773323 (E_RNA)
where:
Base-Base interactions energy: -113.022
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.011
local terms energy: -69.740178
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -16.229
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: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -184.579912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.579912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.579912 (E_RNA)
where:
Base-Base interactions energy: -120.639
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.097
local terms energy: -63.843614
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -175.807038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.807038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.807038 (E_RNA)
where:
Base-Base interactions energy: -110.826
where: short stacking energy: -49.534
Base-Backbone interact. energy: 0.685
local terms energy: -65.665555
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -155.374428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.374428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.374428 (E_RNA)
where:
Base-Base interactions energy: -98.032
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.044
local terms energy: -57.298143
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -2.663
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: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -158.276651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.276651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.276651 (E_RNA)
where:
Base-Base interactions energy: -106.183
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.322
local terms energy: -51.771361
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -78.174118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.174118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.174118 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -24.477
Base-Backbone interact. energy: -0.227
local terms energy: -42.829727
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -6.718
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -203.914485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.914485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.914485 (E_RNA)
where:
Base-Base interactions energy: -135.031
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.186
local terms energy: -68.697298
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -203.196667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.196667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.196667 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -56.975
Base-Backbone interact. energy: -1.485
local terms energy: -70.538215
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -232.746577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.746577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.746577 (E_RNA)
where:
Base-Base interactions energy: -162.741
where: short stacking energy: -66.340
Base-Backbone interact. energy: -0.552
local terms energy: -69.454019
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -200.069643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.069643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069643 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -64.625
Base-Backbone interact. energy: -0.220
local terms energy: -74.011223
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -179.303509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.303509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.303509 (E_RNA)
where:
Base-Base interactions energy: -111.465
where: short stacking energy: -50.839
Base-Backbone interact. energy: 0.661
local terms energy: -68.499914
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -176.121959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121959 (E_RNA)
where:
Base-Base interactions energy: -107.446
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.185
local terms energy: -68.491069
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -10.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -172.839517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.839517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.839517 (E_RNA)
where:
Base-Base interactions energy: -116.949
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.023
local terms energy: -55.867407
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -10.531
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: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -169.648004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.648004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.648004 (E_RNA)
where:
Base-Base interactions energy: -103.033
where: short stacking energy: -53.211
Base-Backbone interact. energy: -0.167
local terms energy: -66.448919
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -164.413038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.413038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.413038 (E_RNA)
where:
Base-Base interactions energy: -106.063
where: short stacking energy: -43.634
Base-Backbone interact. energy: -0.145
local terms energy: -58.205551
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -11.110
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -87.046744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.046744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.046744 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -30.440
Base-Backbone interact. energy: -0.107
local terms energy: -55.685889
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -221.244163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.244163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.244163 (E_RNA)
where:
Base-Base interactions energy: -150.198
where: short stacking energy: -67.560
Base-Backbone interact. energy: -0.128
local terms energy: -70.918552
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -189.799991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.799991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799991 (E_RNA)
where:
Base-Base interactions energy: -124.902
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.024
local terms energy: -64.873969
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -8.886
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: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -227.200148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200148 (E_RNA)
where:
Base-Base interactions energy: -162.612
where: short stacking energy: -69.981
Base-Backbone interact. energy: -1.404
local terms energy: -63.183817
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -1.648
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -182.517868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517868 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.009
local terms energy: -62.748885
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -10.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -184.104624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.104624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.104624 (E_RNA)
where:
Base-Base interactions energy: -117.581
where: short stacking energy: -52.973
Base-Backbone interact. energy: -0.327
local terms energy: -66.196679
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -181.558543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.558543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.558543 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.670
local terms energy: -61.810276
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -11.577
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: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -169.894930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.894930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.894930 (E_RNA)
where:
Base-Base interactions energy: -109.916
where: short stacking energy: -59.017
Base-Backbone interact. energy: -0.003
local terms energy: -59.975861
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -172.495667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.495667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.495667 (E_RNA)
where:
Base-Base interactions energy: -113.758
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.006
local terms energy: -58.730973
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -172.929366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.929366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929366 (E_RNA)
where:
Base-Base interactions energy: -106.461
where: short stacking energy: -50.407
Base-Backbone interact. energy: -0.427
local terms energy: -66.041293
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -79.794587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.794587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.794587 (E_RNA)
where:
Base-Base interactions energy: -30.005
where: short stacking energy: -22.820
Base-Backbone interact. energy: -0.602
local terms energy: -49.187863
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -209.787421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.787421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.787421 (E_RNA)
where:
Base-Base interactions energy: -131.826
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.006
local terms energy: -77.954991
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -224.970220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.970220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970220 (E_RNA)
where:
Base-Base interactions energy: -161.460
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.408
local terms energy: -63.102832
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -193.067057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.067057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.067057 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.062
local terms energy: -77.581984
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -184.587840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.587840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.587840 (E_RNA)
where:
Base-Base interactions energy: -118.536
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.015
local terms energy: -66.036922
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -13.698
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: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -177.697856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.697856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.697856 (E_RNA)
where:
Base-Base interactions energy: -111.184
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.036
local terms energy: -66.478356
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -173.210240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.210240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.210240 (E_RNA)
where:
Base-Base interactions energy: -117.855
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.860
local terms energy: -54.494966
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -168.933172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.933172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.933172 (E_RNA)
where:
Base-Base interactions energy: -113.217
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.802
local terms energy: -54.914563
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -8.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -162.386203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.386203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.386203 (E_RNA)
where:
Base-Base interactions energy: -111.015
where: short stacking energy: -50.379
Base-Backbone interact. energy: -0.121
local terms energy: -51.250445
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -163.280594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.280594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.280594 (E_RNA)
where:
Base-Base interactions energy: -108.891
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.098
local terms energy: -54.292281
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -9.493
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -79.167343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.167343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.167343 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.131
local terms energy: -51.540674
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.549
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -242.551327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.551327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.551327 (E_RNA)
where:
Base-Base interactions energy: -173.096
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.285
local terms energy: -69.170451
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -213.177508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.177508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.177508 (E_RNA)
where:
Base-Base interactions energy: -138.717
where: short stacking energy: -68.213
Base-Backbone interact. energy: 0.654
local terms energy: -75.114903
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -12.791
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: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -179.315589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315589 (E_RNA)
where:
Base-Base interactions energy: -113.064
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.245
local terms energy: -66.007104
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -188.692852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.692852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.692852 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.022
local terms energy: -65.907829
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -11.814
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: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -178.279095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.279095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.279095 (E_RNA)
where:
Base-Base interactions energy: -111.091
where: short stacking energy: -46.804
Base-Backbone interact. energy: -0.028
local terms energy: -67.159861
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -186.049311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.049311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.049311 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.547
local terms energy: -66.855126
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -13.605
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: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -163.954958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.954958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.954958 (E_RNA)
where:
Base-Base interactions energy: -103.849
where: short stacking energy: -46.559
Base-Backbone interact. energy: 0.683
local terms energy: -60.788816
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -7.475
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -174.792361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.792361 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -54.993
Base-Backbone interact. energy: -0.015
local terms energy: -68.624889
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -167.089655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.089655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.089655 (E_RNA)
where:
Base-Base interactions energy: -106.514
where: short stacking energy: -48.102
Base-Backbone interact. energy: -0.187
local terms energy: -60.388609
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -81.527787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527787 (E_RNA)
where:
Base-Base interactions energy: -30.343
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.217
local terms energy: -50.967530
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -239.440067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.440067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.440067 (E_RNA)
where:
Base-Base interactions energy: -166.971
where: short stacking energy: -64.080
Base-Backbone interact. energy: -0.437
local terms energy: -72.032186
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -195.890308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.890308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.890308 (E_RNA)
where:
Base-Base interactions energy: -121.914
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.620
local terms energy: -73.356503
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -187.517224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.517224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.517224 (E_RNA)
where:
Base-Base interactions energy: -116.694
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.034
local terms energy: -70.789496
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.473
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: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -187.312180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.312180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.312180 (E_RNA)
where:
Base-Base interactions energy: -118.069
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.000
local terms energy: -69.242861
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -177.832504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.832504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.832504 (E_RNA)
where:
Base-Base interactions energy: -113.134
where: short stacking energy: -57.942
Base-Backbone interact. energy: -0.302
local terms energy: -64.396245
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -11.205
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: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -185.468741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.468741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.468741 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -58.019
Base-Backbone interact. energy: -0.327
local terms energy: -67.889055
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -166.684305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.684305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.684305 (E_RNA)
where:
Base-Base interactions energy: -112.181
where: short stacking energy: -47.613
Base-Backbone interact. energy: -0.079
local terms energy: -54.424269
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -6.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -172.867999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.867999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.867999 (E_RNA)
where:
Base-Base interactions energy: -108.421
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.075
local terms energy: -64.372578
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -143.614205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.614205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.614205 (E_RNA)
where:
Base-Base interactions energy: -104.056
where: short stacking energy: -50.147
Base-Backbone interact. energy: 0.872
local terms energy: -40.430176
where:
bonds (distance) C4'-P energy: -1.989
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -0.746
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -85.027123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.027123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.027123 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.679
local terms energy: -50.232255
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -236.342713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.342713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.342713 (E_RNA)
where:
Base-Base interactions energy: -160.149
where: short stacking energy: -62.195
Base-Backbone interact. energy: -1.049
local terms energy: -75.144074
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -208.567563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.567563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.567563 (E_RNA)
where:
Base-Base interactions energy: -136.841
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.176
local terms energy: -71.549615
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -195.807812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.807812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.807812 (E_RNA)
where:
Base-Base interactions energy: -127.593
where: short stacking energy: -64.974
Base-Backbone interact. energy: -0.379
local terms energy: -67.835461
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -8.460
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: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -194.694776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.694776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.694776 (E_RNA)
where:
Base-Base interactions energy: -129.436
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.023
local terms energy: -65.235917
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -202.040392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.040392 (E_RNA)
where:
Base-Base interactions energy: -133.174
where: short stacking energy: -62.977
Base-Backbone interact. energy: -0.003
local terms energy: -68.862648
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -179.948286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.948286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.948286 (E_RNA)
where:
Base-Base interactions energy: -115.622
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.013
local terms energy: -64.313100
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -170.912910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.912910 (E_RNA)
where:
Base-Base interactions energy: -114.526
where: short stacking energy: -60.330
Base-Backbone interact. energy: -0.422
local terms energy: -55.965552
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -160.681151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.681151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.681151 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.741
local terms energy: -58.593141
where:
bonds (distance) C4'-P energy: -7.849
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -130.267303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.267303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.267303 (E_RNA)
where:
Base-Base interactions energy: -83.900
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.240
local terms energy: -46.126846
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -85.596003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.596003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.596003 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.126
local terms energy: -51.458487
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -231.743175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.743175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.743175 (E_RNA)
where:
Base-Base interactions energy: -164.681
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.381
local terms energy: -66.681355
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -197.220038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.220038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.220038 (E_RNA)
where:
Base-Base interactions energy: -126.781
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.001
local terms energy: -70.437310
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -204.404428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.404428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.404428 (E_RNA)
where:
Base-Base interactions energy: -136.421
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.045
local terms energy: -67.938022
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -190.381609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.381609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.381609 (E_RNA)
where:
Base-Base interactions energy: -118.696
where: short stacking energy: -55.964
Base-Backbone interact. energy: -0.011
local terms energy: -71.674904
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -200.543432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.543432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.543432 (E_RNA)
where:
Base-Base interactions energy: -126.728
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.114
local terms energy: -73.700954
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.124
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: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -179.979006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.979006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.979006 (E_RNA)
where:
Base-Base interactions energy: -112.680
where: short stacking energy: -52.394
Base-Backbone interact. energy: 0.171
local terms energy: -67.469709
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -180.583912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.583912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.583912 (E_RNA)
where:
Base-Base interactions energy: -124.614
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.166
local terms energy: -55.803910
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -176.735152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.735152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.735152 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.014
local terms energy: -52.111325
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -142.996798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.996798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.996798 (E_RNA)
where:
Base-Base interactions energy: -86.472
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.143
local terms energy: -56.381929
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -7.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -83.194420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.194420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.194420 (E_RNA)
where:
Base-Base interactions energy: -31.701
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.027
local terms energy: -51.466524
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -234.430151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.430151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.430151 (E_RNA)
where:
Base-Base interactions energy: -162.650
where: short stacking energy: -60.819
Base-Backbone interact. energy: -0.353
local terms energy: -71.427120
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -199.648930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.648930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.648930 (E_RNA)
where:
Base-Base interactions energy: -127.753
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.402
local terms energy: -71.493551
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -18.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -200.258007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.258007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.258007 (E_RNA)
where:
Base-Base interactions energy: -127.217
where: short stacking energy: -74.380
Base-Backbone interact. energy: -0.002
local terms energy: -73.038453
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.810
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -186.026592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.026592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.026592 (E_RNA)
where:
Base-Base interactions energy: -116.094
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.644
local terms energy: -69.289308
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.963
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -181.988571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.988571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.988571 (E_RNA)
where:
Base-Base interactions energy: -108.753
where: short stacking energy: -54.918
Base-Backbone interact. energy: 0.525
local terms energy: -73.760080
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -174.777570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.777570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.777570 (E_RNA)
where:
Base-Base interactions energy: -112.542
where: short stacking energy: -46.028
Base-Backbone interact. energy: 0.128
local terms energy: -62.364066
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -9.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -179.084554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.084554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.084554 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.014
local terms energy: -68.503728
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -164.162173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.162173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.162173 (E_RNA)
where:
Base-Base interactions energy: -106.165
where: short stacking energy: -56.553
Base-Backbone interact. energy: 0.516
local terms energy: -58.513881
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -147.087202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.087202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.087202 (E_RNA)
where:
Base-Base interactions energy: -95.735
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.025
local terms energy: -51.327792
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -74.788362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.788362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.788362 (E_RNA)
where:
Base-Base interactions energy: -30.482
where: short stacking energy: -30.207
Base-Backbone interact. energy: -0.014
local terms energy: -44.292410
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -5.849
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -7.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -246.482060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.482060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.482060 (E_RNA)
where:
Base-Base interactions energy: -173.272
where: short stacking energy: -65.646
Base-Backbone interact. energy: -1.042
local terms energy: -72.168085
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -17.338
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: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -197.428141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.428141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.428141 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.083
local terms energy: -69.153500
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -201.044933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.044933 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.018
local terms energy: -79.246760
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.889
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: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -201.320955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.320955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.320955 (E_RNA)
where:
Base-Base interactions energy: -129.221
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.009
local terms energy: -72.091307
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -185.361288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.361288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.361288 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -60.104
Base-Backbone interact. energy: -0.055
local terms energy: -63.610341
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -7.127
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: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -194.923765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.923765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.923765 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -69.539
Base-Backbone interact. energy: -0.002
local terms energy: -68.394705
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -181.176026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176026 (E_RNA)
where:
Base-Base interactions energy: -123.845
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.112
local terms energy: -57.218764
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -148.162540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.162540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.162540 (E_RNA)
where:
Base-Base interactions energy: -93.545
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.016
local terms energy: -54.602176
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -165.469269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.469269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.469269 (E_RNA)
where:
Base-Base interactions energy: -104.134
where: short stacking energy: -50.055
Base-Backbone interact. energy: -0.099
local terms energy: -61.235875
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -13.847
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: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -79.916548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.916548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.916548 (E_RNA)
where:
Base-Base interactions energy: -37.726
where: short stacking energy: -31.105
Base-Backbone interact. energy: -0.516
local terms energy: -41.674323
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: 1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -248.293157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.293157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.293157 (E_RNA)
where:
Base-Base interactions energy: -172.253
where: short stacking energy: -71.696
Base-Backbone interact. energy: -0.646
local terms energy: -75.393905
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -15.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -197.894988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.894988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.894988 (E_RNA)
where:
Base-Base interactions energy: -129.916
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.422
local terms energy: -67.557795
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.908
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: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -198.279580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279580 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.004
local terms energy: -71.501575
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -193.151491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.151491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.151491 (E_RNA)
where:
Base-Base interactions energy: -123.252
where: short stacking energy: -54.221
Base-Backbone interact. energy: 0.940
local terms energy: -70.840194
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -184.496588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496588 (E_RNA)
where:
Base-Base interactions energy: -119.025
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.294
local terms energy: -65.177809
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -17.048
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: 456
Temperature: 1.150000
Total energy: -194.841345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.841345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.841345 (E_RNA)
where:
Base-Base interactions energy: -127.493
where: short stacking energy: -64.171
Base-Backbone interact. energy: -0.009
local terms energy: -67.339413
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -188.227492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.227492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.227492 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -61.088
Base-Backbone interact. energy: -0.037
local terms energy: -64.263242
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -175.874212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.874212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.874212 (E_RNA)
where:
Base-Base interactions energy: -115.614
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.565
local terms energy: -59.694959
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -80.639086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.639086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.639086 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.174
local terms energy: -51.159046
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: 0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -151.987277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.987277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.987277 (E_RNA)
where:
Base-Base interactions energy: -103.498
where: short stacking energy: -48.753
Base-Backbone interact. energy: -0.147
local terms energy: -48.342735
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -7.823
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -245.209150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.209150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.209150 (E_RNA)
where:
Base-Base interactions energy: -173.216
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.820
local terms energy: -71.172998
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -15.764
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -196.594020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.594020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.594020 (E_RNA)
where:
Base-Base interactions energy: -123.786
where: short stacking energy: -72.685
Base-Backbone interact. energy: -0.142
local terms energy: -72.666809
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -213.423424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.423424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.423424 (E_RNA)
where:
Base-Base interactions energy: -138.617
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.026
local terms energy: -74.780268
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -15.371
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: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -194.489176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.489176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.489176 (E_RNA)
where:
Base-Base interactions energy: -132.759
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.347
local terms energy: -61.383405
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -191.514130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.514130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.514130 (E_RNA)
where:
Base-Base interactions energy: -122.403
where: short stacking energy: -64.515
Base-Backbone interact. energy: 0.939
local terms energy: -70.049958
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -184.311096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311096 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -59.057
Base-Backbone interact. energy: 0.164
local terms energy: -65.964667
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -173.295345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.295345 (E_RNA)
where:
Base-Base interactions energy: -116.061
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.197
local terms energy: -57.037041
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -166.883457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.883457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.883457 (E_RNA)
where:
Base-Base interactions energy: -104.060
where: short stacking energy: -47.455
Base-Backbone interact. energy: -0.147
local terms energy: -62.676921
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -85.970418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.970418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.970418 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -34.541
Base-Backbone interact. energy: 1.063
local terms energy: -52.492783
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -5.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -146.824907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.824907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.824907 (E_RNA)
where:
Base-Base interactions energy: -86.409
where: short stacking energy: -40.829
Base-Backbone interact. energy: 0.074
local terms energy: -60.490221
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -8.429
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: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -244.765875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.765875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.765875 (E_RNA)
where:
Base-Base interactions energy: -172.967
where: short stacking energy: -63.149
Base-Backbone interact. energy: -0.618
local terms energy: -71.181041
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -210.456510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456510 (E_RNA)
where:
Base-Base interactions energy: -136.208
where: short stacking energy: -75.426
Base-Backbone interact. energy: -0.010
local terms energy: -74.238308
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -203.996787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.996787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.996787 (E_RNA)
where:
Base-Base interactions energy: -128.844
where: short stacking energy: -66.637
Base-Backbone interact. energy: -0.020
local terms energy: -75.132366
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -202.011270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.011270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.011270 (E_RNA)
where:
Base-Base interactions energy: -131.173
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.274
local terms energy: -70.564266
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -14.164
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: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -183.308520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.308520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.308520 (E_RNA)
where:
Base-Base interactions energy: -114.862
where: short stacking energy: -57.780
Base-Backbone interact. energy: -0.033
local terms energy: -68.413497
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -181.552525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.552525 (E_RNA)
where:
Base-Base interactions energy: -117.872
where: short stacking energy: -63.634
Base-Backbone interact. energy: -0.018
local terms energy: -63.662824
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -178.851803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.851803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.851803 (E_RNA)
where:
Base-Base interactions energy: -112.413
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.230
local terms energy: -66.209164
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -171.502907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.502907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.502907 (E_RNA)
where:
Base-Base interactions energy: -115.848
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.658
local terms energy: -54.996345
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -154.004825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.004825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.004825 (E_RNA)
where:
Base-Base interactions energy: -97.946
where: short stacking energy: -46.700
Base-Backbone interact. energy: -0.728
local terms energy: -55.330776
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -84.745848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745848 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -31.457
Base-Backbone interact. energy: 0.323
local terms energy: -47.768348
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: 3.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -243.083242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.083242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.083242 (E_RNA)
where:
Base-Base interactions energy: -168.606
where: short stacking energy: -70.574
Base-Backbone interact. energy: 1.613
local terms energy: -76.090117
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -213.694442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694442 (E_RNA)
where:
Base-Base interactions energy: -136.023
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.444
local terms energy: -77.227819
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -207.709429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.709429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.709429 (E_RNA)
where:
Base-Base interactions energy: -129.305
where: short stacking energy: -70.037
Base-Backbone interact. energy: -0.299
local terms energy: -78.105392
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -188.847568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.847568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.847568 (E_RNA)
where:
Base-Base interactions energy: -117.504
where: short stacking energy: -62.219
Base-Backbone interact. energy: -0.305
local terms energy: -71.039024
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -172.080639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.080639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.080639 (E_RNA)
where:
Base-Base interactions energy: -109.538
where: short stacking energy: -50.149
Base-Backbone interact. energy: 0.163
local terms energy: -62.706017
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -182.610305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.610305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.610305 (E_RNA)
where:
Base-Base interactions energy: -116.125
where: short stacking energy: -66.220
Base-Backbone interact. energy: -0.069
local terms energy: -66.416236
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -179.563832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.563832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.563832 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -53.796
Base-Backbone interact. energy: 0.363
local terms energy: -69.377037
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -158.389283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.389283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.389283 (E_RNA)
where:
Base-Base interactions energy: -105.750
where: short stacking energy: -47.840
Base-Backbone interact. energy: -0.450
local terms energy: -52.189085
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -162.953723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.953723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.953723 (E_RNA)
where:
Base-Base interactions energy: -108.657
where: short stacking energy: -48.045
Base-Backbone interact. energy: -1.192
local terms energy: -53.104187
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -7.604
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: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -80.455927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.455927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.455927 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -30.295
Base-Backbone interact. energy: -0.226
local terms energy: -48.908712
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -236.343522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.343522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.343522 (E_RNA)
where:
Base-Base interactions energy: -164.976
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.391
local terms energy: -70.976407
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -13.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -200.311763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.311763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.311763 (E_RNA)
where:
Base-Base interactions energy: -130.773
where: short stacking energy: -57.754
Base-Backbone interact. energy: -0.651
local terms energy: -68.887617
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -194.904518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.904518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.904518 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.179
local terms energy: -75.293615
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -210.025902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.025902 (E_RNA)
where:
Base-Base interactions energy: -131.118
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.387
local terms energy: -78.520336
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -11.112
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -179.277327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.277327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.277327 (E_RNA)
where:
Base-Base interactions energy: -113.287
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.049
local terms energy: -65.941321
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -14.996
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: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -194.533415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.533415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.533415 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -65.541
Base-Backbone interact. energy: -0.099
local terms energy: -69.869046
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -180.267700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.267700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267700 (E_RNA)
where:
Base-Base interactions energy: -116.955
where: short stacking energy: -62.223
Base-Backbone interact. energy: -0.029
local terms energy: -63.283945
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -169.328781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.328781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.328781 (E_RNA)
where:
Base-Base interactions energy: -110.615
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.004
local terms energy: -58.709893
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -86.402291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.402291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.402291 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -32.639
Base-Backbone interact. energy: 0.993
local terms energy: -50.948621
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -158.908429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.908429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.908429 (E_RNA)
where:
Base-Base interactions energy: -97.199
where: short stacking energy: -44.889
Base-Backbone interact. energy: 0.138
local terms energy: -61.847357
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.353
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: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -242.623400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.623400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.623400 (E_RNA)
where:
Base-Base interactions energy: -162.970
where: short stacking energy: -72.680
Base-Backbone interact. energy: -1.183
local terms energy: -78.470217
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -19.312
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: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -210.342756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.342756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.342756 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -62.978
Base-Backbone interact. energy: -0.362
local terms energy: -73.446297
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -197.113404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.113404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.113404 (E_RNA)
where:
Base-Base interactions energy: -123.910
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.007
local terms energy: -73.196299
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -11.911
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: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -181.751482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.751482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.751482 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -52.921
Base-Backbone interact. energy: -0.012
local terms energy: -66.988781
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -168.963101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.963101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.963101 (E_RNA)
where:
Base-Base interactions energy: -106.790
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.095
local terms energy: -62.077603
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -11.056
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: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -173.915614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.915614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.915614 (E_RNA)
where:
Base-Base interactions energy: -116.064
where: short stacking energy: -49.919
Base-Backbone interact. energy: -0.118
local terms energy: -57.734178
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -10.526
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: 7
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -174.335116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.335116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.335116 (E_RNA)
where:
Base-Base interactions energy: -107.825
where: short stacking energy: -53.585
Base-Backbone interact. energy: -0.171
local terms energy: -66.339815
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -168.675792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.675792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.675792 (E_RNA)
where:
Base-Base interactions energy: -103.139
where: short stacking energy: -52.333
Base-Backbone interact. energy: -0.359
local terms energy: -65.177779
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -75.765722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.765722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.765722 (E_RNA)
where:
Base-Base interactions energy: -30.980
where: short stacking energy: -27.804
Base-Backbone interact. energy: -0.176
local terms energy: -44.608979
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: 3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -159.876984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.876984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.876984 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.196
local terms energy: -57.119862
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -243.281254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.281254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.281254 (E_RNA)
where:
Base-Base interactions energy: -168.429
where: short stacking energy: -65.178
Base-Backbone interact. energy: -1.425
local terms energy: -73.427276
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -199.858825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.858825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.858825 (E_RNA)
where:
Base-Base interactions energy: -126.342
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.056
local terms energy: -73.460334
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -10.113
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: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -188.938418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.938418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.938418 (E_RNA)
where:
Base-Base interactions energy: -120.812
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.077
local terms energy: -68.049227
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -188.603418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.603418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.603418 (E_RNA)
where:
Base-Base interactions energy: -123.450
where: short stacking energy: -53.879
Base-Backbone interact. energy: 0.409
local terms energy: -65.562846
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -10.557
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: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -174.187888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.187888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.187888 (E_RNA)
where:
Base-Base interactions energy: -111.311
where: short stacking energy: -57.226
Base-Backbone interact. energy: -0.089
local terms energy: -62.787039
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -170.962681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.962681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.962681 (E_RNA)
where:
Base-Base interactions energy: -115.621
where: short stacking energy: -46.823
Base-Backbone interact. energy: 0.371
local terms energy: -55.713045
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -181.137223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.137223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137223 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.420
local terms energy: -59.648855
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -165.198944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.198944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.198944 (E_RNA)
where:
Base-Base interactions energy: -109.797
where: short stacking energy: -60.297
Base-Backbone interact. energy: -0.196
local terms energy: -55.205323
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -11.435
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: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -167.376433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.376433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.376433 (E_RNA)
where:
Base-Base interactions energy: -104.284
where: short stacking energy: -49.197
Base-Backbone interact. energy: -1.540
local terms energy: -61.552699
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -85.322167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.322167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.322167 (E_RNA)
where:
Base-Base interactions energy: -41.349
where: short stacking energy: -30.076
Base-Backbone interact. energy: -0.073
local terms energy: -43.900427
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -234.954632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.954632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.954632 (E_RNA)
where:
Base-Base interactions energy: -167.207
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.396
local terms energy: -67.352037
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -206.542794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.542794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.542794 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -76.388
Base-Backbone interact. energy: 2.223
local terms energy: -70.775815
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -16.429
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: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -202.132944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.132944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.132944 (E_RNA)
where:
Base-Base interactions energy: -137.325
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.014
local terms energy: -64.793252
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -14.925
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: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -182.630236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.630236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.630236 (E_RNA)
where:
Base-Base interactions energy: -114.701
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.583
local terms energy: -67.346696
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -187.424826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.424826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.424826 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -67.593
Base-Backbone interact. energy: -0.000
local terms energy: -66.355187
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -11.659
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: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -175.623897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.623897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.623897 (E_RNA)
where:
Base-Base interactions energy: -110.628
where: short stacking energy: -59.045
Base-Backbone interact. energy: -0.092
local terms energy: -64.903397
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -185.051299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.051299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.051299 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.096
local terms energy: -68.077602
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -14.221
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: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -164.489253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.489253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.489253 (E_RNA)
where:
Base-Base interactions energy: -111.371
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.135
local terms energy: -52.982491
where:
bonds (distance) C4'-P energy: -5.582
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.814
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: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -148.240044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.240044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.240044 (E_RNA)
where:
Base-Base interactions energy: -99.280
where: short stacking energy: -39.572
Base-Backbone interact. energy: -0.367
local terms energy: -48.592786
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -3.590
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -85.424188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.424188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.424188 (E_RNA)
where:
Base-Base interactions energy: -41.039
where: short stacking energy: -37.504
Base-Backbone interact. energy: -0.488
local terms energy: -43.897591
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -4.396
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: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -201.636684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.636684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.636684 (E_RNA)
where:
Base-Base interactions energy: -128.810
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.279
local terms energy: -72.548252
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -225.654721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.654721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.654721 (E_RNA)
where:
Base-Base interactions energy: -159.134
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.078
local terms energy: -66.442454
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -201.828037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.828037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.828037 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -60.602
Base-Backbone interact. energy: 1.349
local terms energy: -68.120068
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -6.576
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: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -191.404664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.404664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404664 (E_RNA)
where:
Base-Base interactions energy: -119.540
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.290
local terms energy: -71.574353
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -172.807146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.807146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.807146 (E_RNA)
where:
Base-Base interactions energy: -109.381
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.733
local terms energy: -62.692950
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -183.763695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.763695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.763695 (E_RNA)
where:
Base-Base interactions energy: -115.601
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.245
local terms energy: -67.917408
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.675
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: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -182.064073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.064073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.064073 (E_RNA)
where:
Base-Base interactions energy: -117.879
where: short stacking energy: -62.176
Base-Backbone interact. energy: 0.378
local terms energy: -64.562592
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -166.959878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.959878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.959878 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.347
local terms energy: -60.792431
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -167.977038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977038 (E_RNA)
where:
Base-Base interactions energy: -102.905
where: short stacking energy: -51.213
Base-Backbone interact. energy: -0.087
local terms energy: -64.985836
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -13.093
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: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.442196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.442196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.442196 (E_RNA)
where:
Base-Base interactions energy: -22.640
where: short stacking energy: -22.459
Base-Backbone interact. energy: -1.019
local terms energy: -53.783014
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -201.419332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.419332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.419332 (E_RNA)
where:
Base-Base interactions energy: -126.062
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.636
local terms energy: -74.721171
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -233.534919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.534919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.534919 (E_RNA)
where:
Base-Base interactions energy: -163.055
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.946
local terms energy: -69.533761
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -13.288
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: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -202.127332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127332 (E_RNA)
where:
Base-Base interactions energy: -130.941
where: short stacking energy: -71.026
Base-Backbone interact. energy: -1.116
local terms energy: -70.070359
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.301
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: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -181.348577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.348577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.348577 (E_RNA)
where:
Base-Base interactions energy: -112.181
where: short stacking energy: -51.800
Base-Backbone interact. energy: -0.277
local terms energy: -68.890585
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -198.055347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.055347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.055347 (E_RNA)
where:
Base-Base interactions energy: -122.336
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.863
local terms energy: -74.856704
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -178.854694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.854694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.854694 (E_RNA)
where:
Base-Base interactions energy: -113.226
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.214
local terms energy: -65.414874
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -170.202537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.202537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.202537 (E_RNA)
where:
Base-Base interactions energy: -110.666
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.147
local terms energy: -59.389365
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -9.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -165.624338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.624338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.624338 (E_RNA)
where:
Base-Base interactions energy: -108.281
where: short stacking energy: -48.333
Base-Backbone interact. energy: -0.069
local terms energy: -57.274375
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -12.211
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: 6
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -181.056928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.056928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.056928 (E_RNA)
where:
Base-Base interactions energy: -116.130
where: short stacking energy: -55.655
Base-Backbone interact. energy: -0.098
local terms energy: -64.828636
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -73.555295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.555295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.555295 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -24.995
Base-Backbone interact. energy: -0.186
local terms energy: -48.374411
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: 3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -239.175121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.175121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.175121 (E_RNA)
where:
Base-Base interactions energy: -170.367
where: short stacking energy: -67.800
Base-Backbone interact. energy: 0.287
local terms energy: -69.094521
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -197.706935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.706935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.706935 (E_RNA)
where:
Base-Base interactions energy: -125.596
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.011
local terms energy: -72.099922
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -199.831947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.831947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.831947 (E_RNA)
where:
Base-Base interactions energy: -131.234
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.145
local terms energy: -68.452881
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -14.912
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: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -183.301422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.301422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301422 (E_RNA)
where:
Base-Base interactions energy: -119.485
where: short stacking energy: -55.143
Base-Backbone interact. energy: -0.122
local terms energy: -63.694560
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.957
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -187.714317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.714317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.714317 (E_RNA)
where:
Base-Base interactions energy: -123.248
where: short stacking energy: -55.190
Base-Backbone interact. energy: -0.631
local terms energy: -63.835254
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -179.900556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.900556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.900556 (E_RNA)
where:
Base-Base interactions energy: -110.771
where: short stacking energy: -57.243
Base-Backbone interact. energy: -0.097
local terms energy: -69.032505
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.174
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: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -183.267516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.267516 (E_RNA)
where:
Base-Base interactions energy: -118.865
where: short stacking energy: -62.205
Base-Backbone interact. energy: -1.541
local terms energy: -62.861329
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -167.314680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314680 (E_RNA)
where:
Base-Base interactions energy: -108.429
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.168
local terms energy: -58.717236
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -166.915883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.915883 (E_RNA)
where:
Base-Base interactions energy: -107.787
where: short stacking energy: -50.806
Base-Backbone interact. energy: -0.667
local terms energy: -58.462268
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -2.911
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: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -86.791780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791780 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.249
local terms energy: -49.299550
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -237.138993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.138993 (E_RNA)
where:
Base-Base interactions energy: -167.599
where: short stacking energy: -63.341
Base-Backbone interact. energy: 0.989
local terms energy: -70.528458
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -197.015621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.015621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.015621 (E_RNA)
where:
Base-Base interactions energy: -126.944
where: short stacking energy: -71.250
Base-Backbone interact. energy: -0.009
local terms energy: -70.063149
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -193.549771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.549771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.549771 (E_RNA)
where:
Base-Base interactions energy: -123.580
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.416
local terms energy: -69.553268
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -188.292701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.292701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.292701 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.133
local terms energy: -63.881061
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -194.299282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.299282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.299282 (E_RNA)
where:
Base-Base interactions energy: -125.132
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.937
local terms energy: -68.230225
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -173.114713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.114713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.114713 (E_RNA)
where:
Base-Base interactions energy: -112.966
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.169
local terms energy: -59.979029
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -180.031212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.031212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.031212 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -52.435
Base-Backbone interact. energy: -0.287
local terms energy: -59.762654
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -170.724503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724503 (E_RNA)
where:
Base-Base interactions energy: -109.278
where: short stacking energy: -47.384
Base-Backbone interact. energy: -1.319
local terms energy: -60.128047
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -161.587896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.587896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.587896 (E_RNA)
where:
Base-Base interactions energy: -94.548
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.146
local terms energy: -66.893916
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -123.383256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.383256 (E_RNA)
where:
Base-Base interactions energy: -75.003
where: short stacking energy: -27.592
Base-Backbone interact. energy: -0.455
local terms energy: -47.925802
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -238.512146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.512146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.512146 (E_RNA)
where:
Base-Base interactions energy: -172.155
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.115
local terms energy: -66.243092
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -208.471779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.471779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.471779 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.053
local terms energy: -74.638742
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -15.454
tors. eta vs tors. theta energy: -14.886
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: 468
Temperature: 1.000000
Total energy: -207.069189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.069189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.069189 (E_RNA)
where:
Base-Base interactions energy: -141.202
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.676
local terms energy: -65.191792
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -13.794
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -197.246996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.246996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.246996 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -50.241
Base-Backbone interact. energy: -0.506
local terms energy: -66.313153
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -185.575084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.575084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.575084 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -61.430
Base-Backbone interact. energy: 0.406
local terms energy: -66.824548
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -9.791
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: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -175.824878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.824878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.824878 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -51.433
Base-Backbone interact. energy: -0.415
local terms energy: -65.536619
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -174.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.951351 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -52.196
Base-Backbone interact. energy: 1.661
local terms energy: -61.563538
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -8.365
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: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -166.003621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.003621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.003621 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -50.171
Base-Backbone interact. energy: -0.024
local terms energy: -67.405631
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -123.095840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.095840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.095840 (E_RNA)
where:
Base-Base interactions energy: -63.778
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.284
local terms energy: -59.034116
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -162.299678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.299678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.299678 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -48.731
Base-Backbone interact. energy: -0.309
local terms energy: -45.796250
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -7.837
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -2.410
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -247.881372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.881372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.881372 (E_RNA)
where:
Base-Base interactions energy: -174.814
where: short stacking energy: -67.971
Base-Backbone interact. energy: -0.876
local terms energy: -72.191311
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.735
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: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -226.762531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.762531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.762531 (E_RNA)
where:
Base-Base interactions energy: -157.487
where: short stacking energy: -67.890
Base-Backbone interact. energy: 0.714
local terms energy: -69.989881
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -211.013712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.013712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013712 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.720
local terms energy: -71.187456
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -180.211290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.211290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.211290 (E_RNA)
where:
Base-Base interactions energy: -107.735
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.969
local terms energy: -71.507097
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -184.175806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175806 (E_RNA)
where:
Base-Base interactions energy: -119.163
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.085
local terms energy: -64.928157
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -11.153
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: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -185.253518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.253518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.253518 (E_RNA)
where:
Base-Base interactions energy: -117.866
where: short stacking energy: -60.716
Base-Backbone interact. energy: 0.235
local terms energy: -67.622905
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -161.612030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.612030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.612030 (E_RNA)
where:
Base-Base interactions energy: -98.178
where: short stacking energy: -47.689
Base-Backbone interact. energy: -0.004
local terms energy: -63.430244
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -167.695693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.695693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.695693 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.285
local terms energy: -63.658170
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -103.307784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.307784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.307784 (E_RNA)
where:
Base-Base interactions energy: -60.117
where: short stacking energy: -32.920
Base-Backbone interact. energy: 0.394
local terms energy: -43.584061
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -5.828
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: 2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -161.639208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.639208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.639208 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.053
local terms energy: -57.487490
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -241.573282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.573282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.573282 (E_RNA)
where:
Base-Base interactions energy: -172.357
where: short stacking energy: -67.753
Base-Backbone interact. energy: -0.288
local terms energy: -68.928105
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -225.355695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.355695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.355695 (E_RNA)
where:
Base-Base interactions energy: -161.557
where: short stacking energy: -66.398
Base-Backbone interact. energy: -0.094
local terms energy: -63.705023
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.542
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: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -190.789290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.789290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.789290 (E_RNA)
where:
Base-Base interactions energy: -114.363
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.071
local terms energy: -76.354902
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -182.895282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.895282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.895282 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -60.726
Base-Backbone interact. energy: -1.022
local terms energy: -61.389301
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -193.979935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.979935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.979935 (E_RNA)
where:
Base-Base interactions energy: -124.511
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.028
local terms energy: -69.441043
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.465
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: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -178.614345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.614345 (E_RNA)
where:
Base-Base interactions energy: -106.713
where: short stacking energy: -65.471
Base-Backbone interact. energy: -0.007
local terms energy: -71.894618
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -16.033
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -185.091196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.091196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.091196 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.046
local terms energy: -65.528496
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -15.171
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: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -158.371806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.371806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.371806 (E_RNA)
where:
Base-Base interactions energy: -98.309
where: short stacking energy: -50.233
Base-Backbone interact. energy: -0.281
local terms energy: -59.782292
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -172.808492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.808492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.808492 (E_RNA)
where:
Base-Base interactions energy: -103.374
where: short stacking energy: -44.203
Base-Backbone interact. energy: -0.068
local terms energy: -69.366149
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -12.459
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.552462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552462 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -28.314
Base-Backbone interact. energy: -0.202
local terms energy: -50.036142
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: 0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -233.526237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.526237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.526237 (E_RNA)
where:
Base-Base interactions energy: -167.543
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.045
local terms energy: -65.938976
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -10.275
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: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -204.101033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.101033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.101033 (E_RNA)
where:
Base-Base interactions energy: -132.609
where: short stacking energy: -66.413
Base-Backbone interact. energy: 3.463
local terms energy: -74.954843
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -221.356123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.356123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.356123 (E_RNA)
where:
Base-Base interactions energy: -154.827
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.155
local terms energy: -66.373960
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -192.785818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.785818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.785818 (E_RNA)
where:
Base-Base interactions energy: -125.717
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.006
local terms energy: -67.063416
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -175.975419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.975419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.975419 (E_RNA)
where:
Base-Base interactions energy: -110.550
where: short stacking energy: -59.111
Base-Backbone interact. energy: 0.321
local terms energy: -65.746707
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -172.941414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941414 (E_RNA)
where:
Base-Base interactions energy: -109.228
where: short stacking energy: -51.535
Base-Backbone interact. energy: 0.613
local terms energy: -64.326249
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -179.193146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.193146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.193146 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.673
local terms energy: -60.422715
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -4.991
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -165.275544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.275544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.275544 (E_RNA)
where:
Base-Base interactions energy: -107.443
where: short stacking energy: -53.502
Base-Backbone interact. energy: -0.511
local terms energy: -57.321327
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -161.163009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.163009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.163009 (E_RNA)
where:
Base-Base interactions energy: -102.450
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.236
local terms energy: -58.476601
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -10.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -91.410119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.410119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.410119 (E_RNA)
where:
Base-Base interactions energy: -51.803
where: short stacking energy: -29.488
Base-Backbone interact. energy: 1.005
local terms energy: -40.611991
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -7.162
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -228.737195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.737195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.737195 (E_RNA)
where:
Base-Base interactions energy: -153.740
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.252
local terms energy: -74.744862
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -15.503
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -214.303984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.303984 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.088
local terms energy: -81.801681
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -196.688204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.688204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.688204 (E_RNA)
where:
Base-Base interactions energy: -127.985
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.172
local terms energy: -68.531135
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.228
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -218.672045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672045 (E_RNA)
where:
Base-Base interactions energy: -155.432
where: short stacking energy: -63.458
Base-Backbone interact. energy: -0.275
local terms energy: -62.965274
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -187.953838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953838 (E_RNA)
where:
Base-Base interactions energy: -122.314
where: short stacking energy: -69.916
Base-Backbone interact. energy: -0.012
local terms energy: -65.628538
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -165.076637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.076637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.076637 (E_RNA)
where:
Base-Base interactions energy: -102.650
where: short stacking energy: -53.502
Base-Backbone interact. energy: 0.328
local terms energy: -62.754521
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -179.924901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.924901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.924901 (E_RNA)
where:
Base-Base interactions energy: -115.085
where: short stacking energy: -56.059
Base-Backbone interact. energy: -0.014
local terms energy: -64.825993
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -16.320
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: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -180.278113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.278113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.278113 (E_RNA)
where:
Base-Base interactions energy: -125.477
where: short stacking energy: -49.086
Base-Backbone interact. energy: -0.140
local terms energy: -54.660921
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -147.461652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.461652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.461652 (E_RNA)
where:
Base-Base interactions energy: -88.456
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.510
local terms energy: -58.495950
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -87.143559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143559 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.383
local terms energy: -52.778608
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -3.491
tors. eta vs tors. theta energy: -7.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -240.623325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.623325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.623325 (E_RNA)
where:
Base-Base interactions energy: -167.418
where: short stacking energy: -69.249
Base-Backbone interact. energy: -0.446
local terms energy: -72.759245
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -220.850341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.850341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.850341 (E_RNA)
where:
Base-Base interactions energy: -155.402
where: short stacking energy: -69.584
Base-Backbone interact. energy: -0.019
local terms energy: -65.428764
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -210.779396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779396 (E_RNA)
where:
Base-Base interactions energy: -138.735
where: short stacking energy: -61.763
Base-Backbone interact. energy: -0.468
local terms energy: -71.576508
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -190.964756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.964756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.964756 (E_RNA)
where:
Base-Base interactions energy: -118.583
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.007
local terms energy: -72.375199
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -14.067
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -220.445093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.445093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.445093 (E_RNA)
where:
Base-Base interactions energy: -158.539
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.179
local terms energy: -61.727447
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -2.537
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -175.025891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.025891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.025891 (E_RNA)
where:
Base-Base interactions energy: -114.393
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.845
local terms energy: -59.787989
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.888
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -159.788534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.788534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.788534 (E_RNA)
where:
Base-Base interactions energy: -96.401
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.044
local terms energy: -63.343937
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -165.268463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.268463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.268463 (E_RNA)
where:
Base-Base interactions energy: -105.517
where: short stacking energy: -45.019
Base-Backbone interact. energy: -0.202
local terms energy: -59.549473
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -159.950997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.950997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.950997 (E_RNA)
where:
Base-Base interactions energy: -105.024
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.037
local terms energy: -54.889960
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -84.913627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.913627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.913627 (E_RNA)
where:
Base-Base interactions energy: -32.645
where: short stacking energy: -28.117
Base-Backbone interact. energy: 1.039
local terms energy: -53.307580
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -243.054897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.054897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.054897 (E_RNA)
where:
Base-Base interactions energy: -167.452
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.181
local terms energy: -75.422178
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -210.285253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.285253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.285253 (E_RNA)
where:
Base-Base interactions energy: -138.939
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.144
local terms energy: -71.202298
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -230.620522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.620522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.620522 (E_RNA)
where:
Base-Base interactions energy: -162.832
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.397
local terms energy: -67.392017
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -12.768
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: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -192.294033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.294033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.294033 (E_RNA)
where:
Base-Base interactions energy: -127.426
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.240
local terms energy: -64.628317
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -208.784840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.784840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.784840 (E_RNA)
where:
Base-Base interactions energy: -142.532
where: short stacking energy: -63.745
Base-Backbone interact. energy: -1.221
local terms energy: -65.032483
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -191.910535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.910535 (E_RNA)
where:
Base-Base interactions energy: -123.179
where: short stacking energy: -61.805
Base-Backbone interact. energy: 0.409
local terms energy: -69.139845
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -11.966
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: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -180.160136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160136 (E_RNA)
where:
Base-Base interactions energy: -120.071
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.169
local terms energy: -59.920836
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -13.785
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: 4
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -176.616371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.616371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.616371 (E_RNA)
where:
Base-Base interactions energy: -108.009
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.020
local terms energy: -68.587345
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -13.648
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: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -161.797247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.797247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.797247 (E_RNA)
where:
Base-Base interactions energy: -97.269
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.461
local terms energy: -64.067061
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -83.176557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.176557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.176557 (E_RNA)
where:
Base-Base interactions energy: -28.885
where: short stacking energy: -28.885
Base-Backbone interact. energy: -0.064
local terms energy: -54.228271
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -236.293160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.293160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.293160 (E_RNA)
where:
Base-Base interactions energy: -163.117
where: short stacking energy: -65.749
Base-Backbone interact. energy: -0.502
local terms energy: -72.673416
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -16.539
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: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -230.621295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.621295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.621295 (E_RNA)
where:
Base-Base interactions energy: -154.501
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.942
local terms energy: -75.178104
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -187.856898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856898 (E_RNA)
where:
Base-Base interactions energy: -121.713
where: short stacking energy: -50.939
Base-Backbone interact. energy: -0.102
local terms energy: -66.042002
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -221.210651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.210651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.210651 (E_RNA)
where:
Base-Base interactions energy: -149.387
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.389
local terms energy: -71.435019
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -189.267855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.267855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.267855 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.263
local terms energy: -70.733868
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -16.586
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: 475
Temperature: 1.150000
Total energy: -179.056437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.056437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.056437 (E_RNA)
where:
Base-Base interactions energy: -110.296
where: short stacking energy: -51.382
Base-Backbone interact. energy: -0.416
local terms energy: -68.344572
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -169.343901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.343901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.343901 (E_RNA)
where:
Base-Base interactions energy: -105.136
where: short stacking energy: -48.293
Base-Backbone interact. energy: -0.092
local terms energy: -64.115709
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -164.890151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.890151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.890151 (E_RNA)
where:
Base-Base interactions energy: -105.735
where: short stacking energy: -50.232
Base-Backbone interact. energy: -0.094
local terms energy: -59.061492
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -165.225455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.225455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.225455 (E_RNA)
where:
Base-Base interactions energy: -105.015
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.039
local terms energy: -60.171680
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -11.918
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: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -92.648954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.648954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.648954 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -33.724
Base-Backbone interact. energy: 0.133
local terms energy: -59.058038
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -237.246462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.246462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.246462 (E_RNA)
where:
Base-Base interactions energy: -165.047
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.966
local terms energy: -71.233626
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -12.947
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: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -237.879900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.879900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.879900 (E_RNA)
where:
Base-Base interactions energy: -159.809
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.297
local terms energy: -77.774079
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -237.202977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.202977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.202977 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -73.429
Base-Backbone interact. energy: -0.601
local terms energy: -72.964370
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.359
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -197.807349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.807349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.807349 (E_RNA)
where:
Base-Base interactions energy: -125.307
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.134
local terms energy: -72.366451
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -16.727
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -185.522242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.522242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.522242 (E_RNA)
where:
Base-Base interactions energy: -109.619
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.054
local terms energy: -75.849271
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -172.676833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.676833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.676833 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.531
local terms energy: -55.974778
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -10.632
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: 476
Temperature: 1.200000
Total energy: -177.632833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632833 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -48.572
Base-Backbone interact. energy: -1.359
local terms energy: -60.903805
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -171.629000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.629000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.629000 (E_RNA)
where:
Base-Base interactions energy: -103.599
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.008
local terms energy: -68.021939
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -170.895262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.895262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.895262 (E_RNA)
where:
Base-Base interactions energy: -119.155
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.183
local terms energy: -51.557446
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -88.468079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.468079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.468079 (E_RNA)
where:
Base-Base interactions energy: -41.793
where: short stacking energy: -32.328
Base-Backbone interact. energy: -0.284
local terms energy: -46.391972
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -242.937376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.937376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.937376 (E_RNA)
where:
Base-Base interactions energy: -166.205
where: short stacking energy: -72.296
Base-Backbone interact. energy: -0.936
local terms energy: -75.796049
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -14.791
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: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -237.513613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.513613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.513613 (E_RNA)
where:
Base-Base interactions energy: -158.586
where: short stacking energy: -71.349
Base-Backbone interact. energy: -0.397
local terms energy: -78.530234
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -213.457675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.457675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.457675 (E_RNA)
where:
Base-Base interactions energy: -147.049
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.405
local terms energy: -66.003643
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -176.945675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.945675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.945675 (E_RNA)
where:
Base-Base interactions energy: -112.024
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.077
local terms energy: -64.844553
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -188.437954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.437954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.437954 (E_RNA)
where:
Base-Base interactions energy: -122.965
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.014
local terms energy: -65.458836
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -174.188271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.188271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.188271 (E_RNA)
where:
Base-Base interactions energy: -110.617
where: short stacking energy: -46.872
Base-Backbone interact. energy: -0.414
local terms energy: -63.157549
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -7.712
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: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -175.349301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.349301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.349301 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -58.025
Base-Backbone interact. energy: -0.743
local terms energy: -59.182692
where:
bonds (distance) C4'-P energy: -8.026
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -170.897944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.897944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.897944 (E_RNA)
where:
Base-Base interactions energy: -104.842
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.334
local terms energy: -65.722277
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -155.265568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.265568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.265568 (E_RNA)
where:
Base-Base interactions energy: -99.425
where: short stacking energy: -48.177
Base-Backbone interact. energy: -0.300
local terms energy: -55.540132
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -95.740878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.740878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.740878 (E_RNA)
where:
Base-Base interactions energy: -47.200
where: short stacking energy: -39.819
Base-Backbone interact. energy: 1.188
local terms energy: -49.728994
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -239.357564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.357564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.357564 (E_RNA)
where:
Base-Base interactions energy: -163.686
where: short stacking energy: -73.359
Base-Backbone interact. energy: -1.070
local terms energy: -74.601079
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -232.114851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.114851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.114851 (E_RNA)
where:
Base-Base interactions energy: -158.203
where: short stacking energy: -72.210
Base-Backbone interact. energy: -0.303
local terms energy: -73.608879
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -228.092867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.092867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.092867 (E_RNA)
where:
Base-Base interactions energy: -150.595
where: short stacking energy: -58.094
Base-Backbone interact. energy: -1.323
local terms energy: -76.175246
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -182.722345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.722345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.722345 (E_RNA)
where:
Base-Base interactions energy: -114.309
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.046
local terms energy: -68.367366
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -178.913293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.913293 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.104
local terms energy: -54.842694
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -183.106196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.106196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.106196 (E_RNA)
where:
Base-Base interactions energy: -108.892
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.046
local terms energy: -74.168094
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -176.614368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.614368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.614368 (E_RNA)
where:
Base-Base interactions energy: -121.735
where: short stacking energy: -57.185
Base-Backbone interact. energy: -0.004
local terms energy: -54.874849
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -174.850927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.850927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.850927 (E_RNA)
where:
Base-Base interactions energy: -107.442
where: short stacking energy: -54.075
Base-Backbone interact. energy: -0.938
local terms energy: -66.470692
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -7.082
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: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -172.037328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037328 (E_RNA)
where:
Base-Base interactions energy: -112.370
where: short stacking energy: -45.284
Base-Backbone interact. energy: -0.112
local terms energy: -59.555399
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -9.316
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: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -79.626180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.626180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.626180 (E_RNA)
where:
Base-Base interactions energy: -29.480
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.552
local terms energy: -49.594048
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -243.058059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.058059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.058059 (E_RNA)
where:
Base-Base interactions energy: -164.156
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.949
local terms energy: -77.953631
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -237.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.804673 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -74.319
Base-Backbone interact. energy: -0.426
local terms energy: -78.680093
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.317
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: 3, replica: 8
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -224.915601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.915601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.915601 (E_RNA)
where:
Base-Base interactions energy: -154.312
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.388
local terms energy: -70.216236
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -14.821
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: 479
Temperature: 1.050000
Total energy: -189.484506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484506 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -53.212
Base-Backbone interact. energy: -0.533
local terms energy: -56.448812
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -8.282
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: 479
Temperature: 1.100000
Total energy: -181.810197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.810197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.810197 (E_RNA)
where:
Base-Base interactions energy: -118.892
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.002
local terms energy: -62.916101
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -18.796
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -186.960951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.960951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.960951 (E_RNA)
where:
Base-Base interactions energy: -119.219
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.117
local terms energy: -67.624793
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -167.043583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.043583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.043583 (E_RNA)
where:
Base-Base interactions energy: -108.078
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.005
local terms energy: -58.960494
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -6.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -173.724940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.724940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.724940 (E_RNA)
where:
Base-Base interactions energy: -111.086
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.452
local terms energy: -62.187250
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -12.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -176.765225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.765225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.765225 (E_RNA)
where:
Base-Base interactions energy: -114.961
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.319
local terms energy: -61.485619
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -97.964666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.964666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.964666 (E_RNA)
where:
Base-Base interactions energy: -45.814
where: short stacking energy: -41.911
Base-Backbone interact. energy: -0.187
local terms energy: -51.962941
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -9.808
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: 480
Temperature: 0.900000
Total energy: -237.403490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.403490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.403490 (E_RNA)
where:
Base-Base interactions energy: -161.676
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.495
local terms energy: -75.232427
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -17.068
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: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -235.769068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.769068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.769068 (E_RNA)
where:
Base-Base interactions energy: -163.783
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.843
local terms energy: -71.142669
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -221.830615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.830615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.830615 (E_RNA)
where:
Base-Base interactions energy: -149.203
where: short stacking energy: -63.181
Base-Backbone interact. energy: -0.884
local terms energy: -71.743154
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -14.101
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: 480
Temperature: 1.050000
Total energy: -181.148719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.148719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.148719 (E_RNA)
where:
Base-Base interactions energy: -110.856
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.218
local terms energy: -70.074092
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -13.572
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: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -181.338282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.338282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.338282 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -62.206
Base-Backbone interact. energy: -0.005
local terms energy: -64.940030
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -16.274
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: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -183.634424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.634424 (E_RNA)
where:
Base-Base interactions energy: -114.304
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.032
local terms energy: -69.299194
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -170.930685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.930685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.930685 (E_RNA)
where:
Base-Base interactions energy: -110.564
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.075
local terms energy: -60.291677
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -11.612
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -160.286587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.286587 (E_RNA)
where:
Base-Base interactions energy: -106.466
where: short stacking energy: -40.222
Base-Backbone interact. energy: -0.526
local terms energy: -53.294899
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -10.922
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: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -164.750557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.750557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.750557 (E_RNA)
where:
Base-Base interactions energy: -103.960
where: short stacking energy: -51.468
Base-Backbone interact. energy: 0.406
local terms energy: -61.196484
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -77.717417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717417 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -30.302
Base-Backbone interact. energy: -0.034
local terms energy: -47.783032
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -230.558520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.558520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.558520 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -76.788
Base-Backbone interact. energy: -0.444
local terms energy: -75.717923
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -230.477241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.477241 (E_RNA)
where:
Base-Base interactions energy: -159.226
where: short stacking energy: -65.275
Base-Backbone interact. energy: -1.264
local terms energy: -69.987612
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -231.080113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.080113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.080113 (E_RNA)
where:
Base-Base interactions energy: -160.465
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.181
local terms energy: -70.434132
where:
bonds (distance) C4'-P energy: -7.190
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -193.903371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.903371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.903371 (E_RNA)
where:
Base-Base interactions energy: -127.929
where: short stacking energy: -67.057
Base-Backbone interact. energy: -0.030
local terms energy: -65.945201
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -170.532396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.532396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.532396 (E_RNA)
where:
Base-Base interactions energy: -111.835
where: short stacking energy: -52.989
Base-Backbone interact. energy: 0.714
local terms energy: -59.411811
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -185.905508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.905508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.905508 (E_RNA)
where:
Base-Base interactions energy: -120.408
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.005
local terms energy: -65.492450
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -15.427
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: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -169.216290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.216290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.216290 (E_RNA)
where:
Base-Base interactions energy: -108.191
where: short stacking energy: -51.522
Base-Backbone interact. energy: -1.081
local terms energy: -59.944217
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -174.540830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.540830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.540830 (E_RNA)
where:
Base-Base interactions energy: -108.033
where: short stacking energy: -53.180
Base-Backbone interact. energy: -0.033
local terms energy: -66.474267
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.095
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: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -148.455141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.455141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.455141 (E_RNA)
where:
Base-Base interactions energy: -93.467
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.661
local terms energy: -54.327307
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: -10.312
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: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -86.855128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.855128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.855128 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.038
local terms energy: -58.402440
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -5.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -236.844359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.844359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.844359 (E_RNA)
where:
Base-Base interactions energy: -160.574
where: short stacking energy: -64.909
Base-Backbone interact. energy: -1.169
local terms energy: -75.101272
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -239.445288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.445288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.445288 (E_RNA)
where:
Base-Base interactions energy: -165.007
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.167
local terms energy: -74.271415
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -212.491255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.491255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.491255 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -65.750
Base-Backbone interact. energy: -0.037
local terms energy: -70.600592
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -226.977854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.977854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.977854 (E_RNA)
where:
Base-Base interactions energy: -158.537
where: short stacking energy: -64.773
Base-Backbone interact. energy: -1.888
local terms energy: -66.552367
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -192.997409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.997409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.997409 (E_RNA)
where:
Base-Base interactions energy: -128.906
where: short stacking energy: -64.431
Base-Backbone interact. energy: 1.932
local terms energy: -66.023473
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -9.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -178.315915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.315915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.315915 (E_RNA)
where:
Base-Base interactions energy: -115.465
where: short stacking energy: -53.350
Base-Backbone interact. energy: -1.368
local terms energy: -61.483280
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -171.373053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.373053 (E_RNA)
where:
Base-Base interactions energy: -103.260
where: short stacking energy: -48.749
Base-Backbone interact. energy: -0.630
local terms energy: -67.482992
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -171.116397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.116397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.116397 (E_RNA)
where:
Base-Base interactions energy: -106.874
where: short stacking energy: -53.447
Base-Backbone interact. energy: -1.675
local terms energy: -62.567970
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -11.899
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: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -106.351192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.351192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.351192 (E_RNA)
where:
Base-Base interactions energy: -51.503
where: short stacking energy: -38.810
Base-Backbone interact. energy: -0.052
local terms energy: -54.796279
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -79.502799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.502799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.502799 (E_RNA)
where:
Base-Base interactions energy: -49.402
where: short stacking energy: -36.478
Base-Backbone interact. energy: 0.022
local terms energy: -30.122420
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -8.067
flat angles C4'-P-C4' energy: -7.213
flat angles P-C4'-P energy: -1.668
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -237.286890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.286890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.286890 (E_RNA)
where:
Base-Base interactions energy: -157.499
where: short stacking energy: -64.837
Base-Backbone interact. energy: -1.430
local terms energy: -78.357547
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -209.413281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.413281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.413281 (E_RNA)
where:
Base-Base interactions energy: -132.516
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.009
local terms energy: -76.887681
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -18.329
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: 483
Temperature: 1.000000
Total energy: -228.300797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.300797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.300797 (E_RNA)
where:
Base-Base interactions energy: -158.843
where: short stacking energy: -64.861
Base-Backbone interact. energy: -1.462
local terms energy: -67.995918
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -185.845357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.845357 (E_RNA)
where:
Base-Base interactions energy: -116.279
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.015
local terms energy: -69.551319
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -14.027
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: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -215.892577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.892577 (E_RNA)
where:
Base-Base interactions energy: -155.338
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.419
local terms energy: -60.135949
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -8.445
flat angles P-C4'-P energy: -8.893
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: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -191.647753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647753 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -54.824
Base-Backbone interact. energy: 0.466
local terms energy: -67.313387
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -13.896
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -172.092439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.092439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.092439 (E_RNA)
where:
Base-Base interactions energy: -104.464
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.008
local terms energy: -67.620173
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -10.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -159.063961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.063961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.063961 (E_RNA)
where:
Base-Base interactions energy: -107.181
where: short stacking energy: -55.111
Base-Backbone interact. energy: -0.004
local terms energy: -51.879388
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -9.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -94.600783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.600783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.600783 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -43.109
Base-Backbone interact. energy: -0.274
local terms energy: -50.769893
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -4.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -84.317887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317887 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -34.332
Base-Backbone interact. energy: -0.241
local terms energy: -48.755635
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -236.449555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449555 (E_RNA)
where:
Base-Base interactions energy: -159.318
where: short stacking energy: -67.125
Base-Backbone interact. energy: -1.001
local terms energy: -76.130947
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -17.411
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: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -198.795601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.795601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.795601 (E_RNA)
where:
Base-Base interactions energy: -127.750
where: short stacking energy: -69.607
Base-Backbone interact. energy: -0.219
local terms energy: -70.826575
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -230.613129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.613129 (E_RNA)
where:
Base-Base interactions energy: -159.301
where: short stacking energy: -65.773
Base-Backbone interact. energy: -0.807
local terms energy: -70.505277
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -185.882996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.882996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.882996 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -65.822
Base-Backbone interact. energy: 0.037
local terms energy: -63.488605
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -187.957458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.957458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.957458 (E_RNA)
where:
Base-Base interactions energy: -116.116
where: short stacking energy: -63.433
Base-Backbone interact. energy: -0.001
local terms energy: -71.841081
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -19.442
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: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -212.042764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.042764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.042764 (E_RNA)
where:
Base-Base interactions energy: -144.762
where: short stacking energy: -66.573
Base-Backbone interact. energy: -0.070
local terms energy: -67.210711
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -189.785232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.785232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.785232 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.031
local terms energy: -67.855150
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -14.190
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: 3
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -168.737379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.737379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.737379 (E_RNA)
where:
Base-Base interactions energy: -102.854
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.001
local terms energy: -65.882615
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -11.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -96.202528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.202528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.202528 (E_RNA)
where:
Base-Base interactions energy: -48.266
where: short stacking energy: -42.397
Base-Backbone interact. energy: -0.053
local terms energy: -47.883301
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -9.128
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: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -84.540068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.540068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.540068 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -32.619
Base-Backbone interact. energy: 3.039
local terms energy: -50.393680
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -2.431
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -240.382327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.382327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.382327 (E_RNA)
where:
Base-Base interactions energy: -166.683
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.634
local terms energy: -73.065487
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.308
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: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -238.239034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.239034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.239034 (E_RNA)
where:
Base-Base interactions energy: -170.789
where: short stacking energy: -63.636
Base-Backbone interact. energy: -0.117
local terms energy: -67.332420
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.176
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: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -199.708216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.708216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.708216 (E_RNA)
where:
Base-Base interactions energy: -130.885
where: short stacking energy: -60.674
Base-Backbone interact. energy: -0.068
local terms energy: -68.755671
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -10.135
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: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -191.587413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.587413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.587413 (E_RNA)
where:
Base-Base interactions energy: -128.239
where: short stacking energy: -66.379
Base-Backbone interact. energy: -0.187
local terms energy: -63.161490
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -193.870679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.870679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.870679 (E_RNA)
where:
Base-Base interactions energy: -126.934
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.063
local terms energy: -66.873430
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -199.436798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.436798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.436798 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -69.273
Base-Backbone interact. energy: -0.305
local terms energy: -65.301647
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -159.783765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783765 (E_RNA)
where:
Base-Base interactions energy: -106.190
where: short stacking energy: -45.071
Base-Backbone interact. energy: 5.705
local terms energy: -59.298869
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -10.074
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: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -166.163034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.163034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.163034 (E_RNA)
where:
Base-Base interactions energy: -101.568
where: short stacking energy: -43.500
Base-Backbone interact. energy: -0.361
local terms energy: -64.233624
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -13.639
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: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -92.177482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.177482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.177482 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.405
local terms energy: -51.997159
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -12.001
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: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -89.795256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.795256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.795256 (E_RNA)
where:
Base-Base interactions energy: -48.434
where: short stacking energy: -40.373
Base-Backbone interact. energy: -0.054
local terms energy: -41.307634
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -5.363
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -235.922907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.922907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.922907 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.740
local terms energy: -70.512535
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -235.501425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.501425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.501425 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -68.180
Base-Backbone interact. energy: -0.878
local terms energy: -73.918001
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -18.178
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: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -189.791836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.791836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.791836 (E_RNA)
where:
Base-Base interactions energy: -132.062
where: short stacking energy: -57.500
Base-Backbone interact. energy: 0.154
local terms energy: -57.883157
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -12.999
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: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -180.910354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.910354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.910354 (E_RNA)
where:
Base-Base interactions energy: -115.562
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.484
local terms energy: -64.864856
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.763
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: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -173.158951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.158951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.158951 (E_RNA)
where:
Base-Base interactions energy: -110.328
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.037
local terms energy: -62.794012
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -9.410
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -187.997132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.997132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.997132 (E_RNA)
where:
Base-Base interactions energy: -123.587
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.041
local terms energy: -64.368813
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -14.712
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: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -172.108300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.108300 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.176
local terms energy: -64.138225
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -180.543568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.543568 (E_RNA)
where:
Base-Base interactions energy: -112.135
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.049
local terms energy: -68.360054
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -7.098
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: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -132.510139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.510139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.510139 (E_RNA)
where:
Base-Base interactions energy: -78.140
where: short stacking energy: -33.948
Base-Backbone interact. energy: -0.020
local terms energy: -54.350100
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -84.855000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.855000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.855000 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -35.359
Base-Backbone interact. energy: -0.420
local terms energy: -48.202637
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -7.563
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -3.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -236.912678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.912678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912678 (E_RNA)
where:
Base-Base interactions energy: -161.729
where: short stacking energy: -74.835
Base-Backbone interact. energy: -1.251
local terms energy: -73.932404
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.105
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: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -240.580094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.580094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.580094 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.227
local terms energy: -71.662990
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -18.735
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: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -195.853601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.853601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.853601 (E_RNA)
where:
Base-Base interactions energy: -123.574
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.106
local terms energy: -72.174478
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -189.730125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.730125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.730125 (E_RNA)
where:
Base-Base interactions energy: -119.237
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.003
local terms energy: -70.490782
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -193.046175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.046175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.046175 (E_RNA)
where:
Base-Base interactions energy: -121.567
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.015
local terms energy: -71.463892
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -188.325436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.325436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.325436 (E_RNA)
where:
Base-Base interactions energy: -121.806
where: short stacking energy: -64.021
Base-Backbone interact. energy: -0.103
local terms energy: -66.415717
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -179.105417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.105417 (E_RNA)
where:
Base-Base interactions energy: -118.190
where: short stacking energy: -46.211
Base-Backbone interact. energy: -0.139
local terms energy: -60.776361
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -148.915995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.915995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.915995 (E_RNA)
where:
Base-Base interactions energy: -85.637
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.253
local terms energy: -63.026129
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -139.133872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.133872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.133872 (E_RNA)
where:
Base-Base interactions energy: -86.791
where: short stacking energy: -45.216
Base-Backbone interact. energy: -0.323
local terms energy: -52.019497
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -81.851346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.851346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.851346 (E_RNA)
where:
Base-Base interactions energy: -36.228
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.233
local terms energy: -45.390335
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -239.561106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.561106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.561106 (E_RNA)
where:
Base-Base interactions energy: -161.453
where: short stacking energy: -72.554
Base-Backbone interact. energy: -0.335
local terms energy: -77.773801
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -19.401
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: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -233.194602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.194602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.194602 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.133
local terms energy: -76.610589
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.945
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: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -190.497675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.497675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.497675 (E_RNA)
where:
Base-Base interactions energy: -120.043
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.035
local terms energy: -70.419161
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -187.863536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.863536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.863536 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.397
local terms energy: -67.356744
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -11.181
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: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -188.970724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.970724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.970724 (E_RNA)
where:
Base-Base interactions energy: -122.527
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.006
local terms energy: -66.437638
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -173.448627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.448627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.448627 (E_RNA)
where:
Base-Base interactions energy: -107.935
where: short stacking energy: -53.184
Base-Backbone interact. energy: -0.001
local terms energy: -65.512453
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -168.415525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.415525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.415525 (E_RNA)
where:
Base-Base interactions energy: -102.389
where: short stacking energy: -56.294
Base-Backbone interact. energy: -0.164
local terms energy: -65.862265
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -14.149
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: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -171.471776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471776 (E_RNA)
where:
Base-Base interactions energy: -110.724
where: short stacking energy: -44.822
Base-Backbone interact. energy: -0.486
local terms energy: -60.260878
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -11.343
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: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -160.365609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.365609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.365609 (E_RNA)
where:
Base-Base interactions energy: -102.369
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.039
local terms energy: -57.958158
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -6.947
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -126.578748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.578748 (E_RNA)
where:
Base-Base interactions energy: -82.873
where: short stacking energy: -36.329
Base-Backbone interact. energy: -1.303
local terms energy: -42.402285
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -0.726
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -243.224813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.224813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.224813 (E_RNA)
where:
Base-Base interactions energy: -171.197
where: short stacking energy: -74.172
Base-Backbone interact. energy: -0.350
local terms energy: -71.678097
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -240.000387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.000387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.000387 (E_RNA)
where:
Base-Base interactions energy: -164.277
where: short stacking energy: -79.392
Base-Backbone interact. energy: -0.623
local terms energy: -75.100149
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -12.545
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: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -194.527547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527547 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -70.330
Base-Backbone interact. energy: -0.065
local terms energy: -69.321773
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -200.570799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.570799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.570799 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.005
local terms energy: -73.377256
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -175.052335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.052335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.052335 (E_RNA)
where:
Base-Base interactions energy: -110.457
where: short stacking energy: -56.264
Base-Backbone interact. energy: 0.404
local terms energy: -64.998806
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -177.327965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.327965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.327965 (E_RNA)
where:
Base-Base interactions energy: -108.059
where: short stacking energy: -51.945
Base-Backbone interact. energy: 0.117
local terms energy: -69.386626
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -176.150942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.150942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.150942 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.006
local terms energy: -64.656632
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -10.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -155.337826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.337826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.337826 (E_RNA)
where:
Base-Base interactions energy: -98.529
where: short stacking energy: -52.626
Base-Backbone interact. energy: 1.257
local terms energy: -58.066375
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -166.285648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.285648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.285648 (E_RNA)
where:
Base-Base interactions energy: -101.057
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.047
local terms energy: -65.182052
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -6.593
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: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -154.525240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.525240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.525240 (E_RNA)
where:
Base-Base interactions energy: -94.908
where: short stacking energy: -46.417
Base-Backbone interact. energy: -0.198
local terms energy: -59.419395
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -233.286743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.286743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.286743 (E_RNA)
where:
Base-Base interactions energy: -159.041
where: short stacking energy: -65.840
Base-Backbone interact. energy: -0.241
local terms energy: -74.004999
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -229.214191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.214191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.214191 (E_RNA)
where:
Base-Base interactions energy: -159.834
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.616
local terms energy: -68.764595
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -14.710
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: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -195.414640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.414640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.414640 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -65.930
Base-Backbone interact. energy: -0.100
local terms energy: -68.121115
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -197.995184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.995184 (E_RNA)
where:
Base-Base interactions energy: -130.914
where: short stacking energy: -67.934
Base-Backbone interact. energy: 0.569
local terms energy: -67.649455
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -183.307967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307967 (E_RNA)
where:
Base-Base interactions energy: -115.987
where: short stacking energy: -61.064
Base-Backbone interact. energy: -0.030
local terms energy: -67.291087
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -14.475
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: 490
Temperature: 1.150000
Total energy: -186.530500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.530500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530500 (E_RNA)
where:
Base-Base interactions energy: -121.227
where: short stacking energy: -56.296
Base-Backbone interact. energy: -0.130
local terms energy: -65.173698
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -175.406908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.406908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.406908 (E_RNA)
where:
Base-Base interactions energy: -110.526
where: short stacking energy: -48.319
Base-Backbone interact. energy: -0.240
local terms energy: -64.640277
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -169.925950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.925950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.925950 (E_RNA)
where:
Base-Base interactions energy: -107.140
where: short stacking energy: -47.877
Base-Backbone interact. energy: -1.148
local terms energy: -61.638238
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -9.691
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -14.082
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: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -162.133777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.133777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.133777 (E_RNA)
where:
Base-Base interactions energy: -105.375
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.180
local terms energy: -56.578023
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -11.244
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: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -158.836582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.836582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.836582 (E_RNA)
where:
Base-Base interactions energy: -98.254
where: short stacking energy: -48.901
Base-Backbone interact. energy: -0.274
local terms energy: -60.308786
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -243.254194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.254194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.254194 (E_RNA)
where:
Base-Base interactions energy: -173.978
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.589
local terms energy: -68.687779
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -214.574841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.574841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.574841 (E_RNA)
where:
Base-Base interactions energy: -137.743
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.366
local terms energy: -76.466528
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -221.534050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.534050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.534050 (E_RNA)
where:
Base-Base interactions energy: -150.577
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.663
local terms energy: -70.294202
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -190.657370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.657370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.657370 (E_RNA)
where:
Base-Base interactions energy: -117.910
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.009
local terms energy: -72.738950
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -183.569921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.569921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.569921 (E_RNA)
where:
Base-Base interactions energy: -117.571
where: short stacking energy: -60.823
Base-Backbone interact. energy: -0.001
local terms energy: -65.997689
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -15.914
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: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -183.338812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.338812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.338812 (E_RNA)
where:
Base-Base interactions energy: -110.827
where: short stacking energy: -62.692
Base-Backbone interact. energy: -0.594
local terms energy: -71.917741
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -15.644
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: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -179.020870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.020870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.020870 (E_RNA)
where:
Base-Base interactions energy: -116.357
where: short stacking energy: -43.649
Base-Backbone interact. energy: -0.239
local terms energy: -62.425118
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -180.645658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.645658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.645658 (E_RNA)
where:
Base-Base interactions energy: -115.580
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.113
local terms energy: -64.952975
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -174.445196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.445196 (E_RNA)
where:
Base-Base interactions energy: -106.693
where: short stacking energy: -51.794
Base-Backbone interact. energy: 1.065
local terms energy: -68.817760
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.079
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: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -159.786238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.786238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.786238 (E_RNA)
where:
Base-Base interactions energy: -108.895
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.391
local terms energy: -50.500014
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -218.826895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.826895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.826895 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.160
local terms energy: -76.010392
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -12.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -224.610354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.610354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.610354 (E_RNA)
where:
Base-Base interactions energy: -154.414
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.754
local terms energy: -69.442036
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -220.649537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.649537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.649537 (E_RNA)
where:
Base-Base interactions energy: -148.694
where: short stacking energy: -63.234
Base-Backbone interact. energy: -1.035
local terms energy: -70.920443
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -17.593
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: 492
Temperature: 1.050000
Total energy: -189.935407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.935407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.935407 (E_RNA)
where:
Base-Base interactions energy: -125.712
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.202
local terms energy: -64.021541
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -189.724133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.724133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.724133 (E_RNA)
where:
Base-Base interactions energy: -131.345
where: short stacking energy: -49.862
Base-Backbone interact. energy: -0.237
local terms energy: -58.142136
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -176.050462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.050462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.050462 (E_RNA)
where:
Base-Base interactions energy: -113.373
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.044
local terms energy: -62.634176
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -10.097
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: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -172.470646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.470646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.470646 (E_RNA)
where:
Base-Base interactions energy: -120.756
where: short stacking energy: -57.580
Base-Backbone interact. energy: -0.033
local terms energy: -51.681979
where:
bonds (distance) C4'-P energy: -5.897
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -169.476982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.476982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.476982 (E_RNA)
where:
Base-Base interactions energy: -112.961
where: short stacking energy: -54.489
Base-Backbone interact. energy: -0.062
local terms energy: -56.454127
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -5.183
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: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -172.644429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.644429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.644429 (E_RNA)
where:
Base-Base interactions energy: -106.039
where: short stacking energy: -52.112
Base-Backbone interact. energy: -0.039
local terms energy: -66.565838
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -16.352
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: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -158.469980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.469980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.469980 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -50.242
Base-Backbone interact. energy: -0.112
local terms energy: -51.300270
where:
bonds (distance) C4'-P energy: -6.622
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -13.513
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: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -222.122170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.122170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.122170 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.530
local terms energy: -70.351948
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -237.034026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.034026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.034026 (E_RNA)
where:
Base-Base interactions energy: -157.555
where: short stacking energy: -76.517
Base-Backbone interact. energy: -1.272
local terms energy: -78.206442
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -226.250965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.250965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.250965 (E_RNA)
where:
Base-Base interactions energy: -158.210
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.389
local terms energy: -67.651801
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -202.553655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.553655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.553655 (E_RNA)
where:
Base-Base interactions energy: -130.900
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.036
local terms energy: -71.616909
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -176.842881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.842881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.842881 (E_RNA)
where:
Base-Base interactions energy: -113.914
where: short stacking energy: -51.214
Base-Backbone interact. energy: 0.185
local terms energy: -63.113372
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -188.010014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.010014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.010014 (E_RNA)
where:
Base-Base interactions energy: -115.404
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.655
local terms energy: -71.951149
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -12.076
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: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -170.415028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.415028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.415028 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -54.881
Base-Backbone interact. energy: -0.006
local terms energy: -61.924982
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -9.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -172.327992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.327992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.327992 (E_RNA)
where:
Base-Base interactions energy: -110.948
where: short stacking energy: -50.641
Base-Backbone interact. energy: -0.113
local terms energy: -61.266233
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -172.631632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631632 (E_RNA)
where:
Base-Base interactions energy: -107.002
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.267
local terms energy: -65.362006
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -163.891881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.891881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.891881 (E_RNA)
where:
Base-Base interactions energy: -106.261
where: short stacking energy: -51.760
Base-Backbone interact. energy: -0.136
local terms energy: -57.495016
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -9.918
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: 494
Temperature: 0.900000
Total energy: -239.155566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.155566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.155566 (E_RNA)
where:
Base-Base interactions energy: -168.369
where: short stacking energy: -74.509
Base-Backbone interact. energy: -0.307
local terms energy: -70.479555
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -14.978
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -208.475262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.475262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.475262 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.138
local terms energy: -70.388731
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -205.923871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.923871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.923871 (E_RNA)
where:
Base-Base interactions energy: -130.374
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.068
local terms energy: -75.481584
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -19.788
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: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -216.562322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.562322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.562322 (E_RNA)
where:
Base-Base interactions energy: -147.590
where: short stacking energy: -55.899
Base-Backbone interact. energy: -0.564
local terms energy: -68.408769
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -187.933547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.933547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.933547 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -62.829
Base-Backbone interact. energy: -1.181
local terms energy: -57.554853
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -168.202051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.202051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.202051 (E_RNA)
where:
Base-Base interactions energy: -112.758
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.072
local terms energy: -55.371899
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -174.872155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.872155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.872155 (E_RNA)
where:
Base-Base interactions energy: -117.536
where: short stacking energy: -53.934
Base-Backbone interact. energy: -0.121
local terms energy: -57.214782
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -11.486
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -173.898669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.898669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.898669 (E_RNA)
where:
Base-Base interactions energy: -120.531
where: short stacking energy: -55.895
Base-Backbone interact. energy: -0.277
local terms energy: -53.090415
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.523
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: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -164.471955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.471955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.471955 (E_RNA)
where:
Base-Base interactions energy: -108.040
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.858
local terms energy: -55.573822
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -8.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -159.063481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.063481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.063481 (E_RNA)
where:
Base-Base interactions energy: -99.861
where: short stacking energy: -49.164
Base-Backbone interact. energy: -0.005
local terms energy: -59.197184
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -11.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -234.576452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.576452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.576452 (E_RNA)
where:
Base-Base interactions energy: -164.978
where: short stacking energy: -76.652
Base-Backbone interact. energy: -0.401
local terms energy: -69.198242
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -12.531
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: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -202.129203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.129203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.129203 (E_RNA)
where:
Base-Base interactions energy: -126.167
where: short stacking energy: -71.794
Base-Backbone interact. energy: 0.779
local terms energy: -76.741058
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -211.291857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.291857 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.242
local terms energy: -73.893235
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -22.899
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: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -189.685037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.685037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.685037 (E_RNA)
where:
Base-Base interactions energy: -122.902
where: short stacking energy: -59.484
Base-Backbone interact. energy: -0.324
local terms energy: -66.458477
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -17.035
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: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -188.688593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.688593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.688593 (E_RNA)
where:
Base-Base interactions energy: -124.793
where: short stacking energy: -59.791
Base-Backbone interact. energy: -0.661
local terms energy: -63.234777
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -180.529909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.529909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.529909 (E_RNA)
where:
Base-Base interactions energy: -114.991
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.100
local terms energy: -65.438869
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -168.509273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.509273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.509273 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.037
local terms energy: -57.679844
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -171.730112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.730112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.730112 (E_RNA)
where:
Base-Base interactions energy: -107.247
where: short stacking energy: -50.973
Base-Backbone interact. energy: -0.047
local terms energy: -64.435994
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.806
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: 9, replica: 1
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -164.832120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.832120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.832120 (E_RNA)
where:
Base-Base interactions energy: -110.441
where: short stacking energy: -55.400
Base-Backbone interact. energy: -0.218
local terms energy: -54.173234
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -159.577044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.577044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.577044 (E_RNA)
where:
Base-Base interactions energy: -101.699
where: short stacking energy: -48.044
Base-Backbone interact. energy: -0.077
local terms energy: -57.800957
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -237.664951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.664951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.664951 (E_RNA)
where:
Base-Base interactions energy: -172.506
where: short stacking energy: -73.568
Base-Backbone interact. energy: -0.850
local terms energy: -64.309571
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -219.149899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.149899 (E_RNA)
where:
Base-Base interactions energy: -147.286
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.075
local terms energy: -71.789365
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -192.220244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.220244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.220244 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -55.800
Base-Backbone interact. energy: -0.092
local terms energy: -65.631828
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -12.056
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: 7
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -198.847776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.847776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.847776 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.115
local terms energy: -68.787488
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -19.537
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: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -185.814460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.814460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.814460 (E_RNA)
where:
Base-Base interactions energy: -121.260
where: short stacking energy: -50.943
Base-Backbone interact. energy: -0.175
local terms energy: -64.379433
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -181.102782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.102782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.102782 (E_RNA)
where:
Base-Base interactions energy: -116.490
where: short stacking energy: -58.342
Base-Backbone interact. energy: -0.682
local terms energy: -63.930960
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -184.271351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271351 (E_RNA)
where:
Base-Base interactions energy: -112.786
where: short stacking energy: -55.370
Base-Backbone interact. energy: -0.413
local terms energy: -71.072308
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -169.445494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.445494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.445494 (E_RNA)
where:
Base-Base interactions energy: -113.842
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.131
local terms energy: -55.473268
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -167.719112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.719112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.719112 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.431
local terms energy: -56.529619
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -11.128
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: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -144.746425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.746425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.746425 (E_RNA)
where:
Base-Base interactions energy: -96.263
where: short stacking energy: -43.075
Base-Backbone interact. energy: -0.203
local terms energy: -48.280918
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -1.730
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: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -242.978671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.978671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.978671 (E_RNA)
where:
Base-Base interactions energy: -175.292
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.526
local terms energy: -67.160253
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -211.081173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.081173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.081173 (E_RNA)
where:
Base-Base interactions energy: -132.175
where: short stacking energy: -72.501
Base-Backbone interact. energy: -0.345
local terms energy: -78.561145
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -200.705545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.705545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.705545 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.010
local terms energy: -79.998597
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -179.833460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.833460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.833460 (E_RNA)
where:
Base-Base interactions energy: -114.591
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.242
local terms energy: -64.999778
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -188.833688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.833688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.833688 (E_RNA)
where:
Base-Base interactions energy: -121.480
where: short stacking energy: -64.179
Base-Backbone interact. energy: -0.158
local terms energy: -67.196163
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -14.825
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: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -178.294737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.294737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.294737 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -58.171
Base-Backbone interact. energy: -0.002
local terms energy: -65.142500
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -176.677071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677071 (E_RNA)
where:
Base-Base interactions energy: -115.641
where: short stacking energy: -59.668
Base-Backbone interact. energy: -0.069
local terms energy: -60.967375
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -12.182
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: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -174.493809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493809 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.024
local terms energy: -62.559298
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -11.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -171.268752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.268752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.268752 (E_RNA)
where:
Base-Base interactions energy: -112.193
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.348
local terms energy: -58.727894
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -162.347439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347439 (E_RNA)
where:
Base-Base interactions energy: -101.713
where: short stacking energy: -55.649
Base-Backbone interact. energy: -0.663
local terms energy: -59.971511
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.204
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -242.322126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.322126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.322126 (E_RNA)
where:
Base-Base interactions energy: -172.983
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.690
local terms energy: -68.649914
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.483
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: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -206.287472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.287472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287472 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.094
local terms energy: -70.523244
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -18.188
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: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -192.823537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.823537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.823537 (E_RNA)
where:
Base-Base interactions energy: -119.212
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.213
local terms energy: -73.398304
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -194.759550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.759550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.759550 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.004
local terms energy: -70.249421
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -16.960
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: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -180.110373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.110373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.110373 (E_RNA)
where:
Base-Base interactions energy: -107.944
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.612
local terms energy: -71.554344
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -181.059158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059158 (E_RNA)
where:
Base-Base interactions energy: -119.390
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.013
local terms energy: -61.656390
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -173.425862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.425862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.425862 (E_RNA)
where:
Base-Base interactions energy: -118.026
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.004
local terms energy: -55.396241
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -166.024536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.024536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.024536 (E_RNA)
where:
Base-Base interactions energy: -107.730
where: short stacking energy: -42.553
Base-Backbone interact. energy: -0.289
local terms energy: -58.005652
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -159.587468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.587468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.587468 (E_RNA)
where:
Base-Base interactions energy: -104.294
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.024
local terms energy: -55.269183
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -149.238687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.238687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.238687 (E_RNA)
where:
Base-Base interactions energy: -90.923
where: short stacking energy: -44.148
Base-Backbone interact. energy: -0.051
local terms energy: -58.264461
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -243.915775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.915775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.915775 (E_RNA)
where:
Base-Base interactions energy: -173.010
where: short stacking energy: -71.992
Base-Backbone interact. energy: -1.418
local terms energy: -69.488047
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -13.401
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: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -205.139988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.139988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.139988 (E_RNA)
where:
Base-Base interactions energy: -126.539
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.520
local terms energy: -78.080633
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -21.727
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: 4
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -207.386018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.386018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.386018 (E_RNA)
where:
Base-Base interactions energy: -132.176
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.242
local terms energy: -74.967974
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -201.429286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429286 (E_RNA)
where:
Base-Base interactions energy: -133.394
where: short stacking energy: -61.926
Base-Backbone interact. energy: -1.347
local terms energy: -66.688048
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.702
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: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -188.232360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232360 (E_RNA)
where:
Base-Base interactions energy: -122.383
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.036
local terms energy: -65.813385
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -14.346
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: 499
Temperature: 1.150000
Total energy: -190.435275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.435275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.435275 (E_RNA)
where:
Base-Base interactions energy: -117.043
where: short stacking energy: -60.521
Base-Backbone interact. energy: 4.642
local terms energy: -78.034924
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -180.352141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.352141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.352141 (E_RNA)
where:
Base-Base interactions energy: -109.375
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.481
local terms energy: -70.496061
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -169.490782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.490782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.490782 (E_RNA)
where:
Base-Base interactions energy: -112.337
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.038
local terms energy: -57.116673
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -10.798
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: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -164.492249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.492249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.492249 (E_RNA)
where:
Base-Base interactions energy: -101.479
where: short stacking energy: -46.889
Base-Backbone interact. energy: -0.199
local terms energy: -62.813986
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -138.215377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.215377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.215377 (E_RNA)
where:
Base-Base interactions energy: -90.990
where: short stacking energy: -35.428
Base-Backbone interact. energy: -0.239
local terms energy: -46.986490
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -237.636297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.636297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.636297 (E_RNA)
where:
Base-Base interactions energy: -163.748
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.768
local terms energy: -73.120096
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -201.184868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.184868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.184868 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -73.195
Base-Backbone interact. energy: 0.636
local terms energy: -76.799882
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -197.950347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.950347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.950347 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -73.881
Base-Backbone interact. energy: -0.665
local terms energy: -62.267849
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -191.570998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.570998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.570998 (E_RNA)
where:
Base-Base interactions energy: -118.485
where: short stacking energy: -57.943
Base-Backbone interact. energy: -0.176
local terms energy: -72.909349
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -9.103
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: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -179.708340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708340 (E_RNA)
where:
Base-Base interactions energy: -119.504
where: short stacking energy: -51.191
Base-Backbone interact. energy: -0.494
local terms energy: -59.710459
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -12.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -192.528692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.528692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.528692 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -56.167
Base-Backbone interact. energy: 1.475
local terms energy: -72.603195
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -15.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -175.667431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.667431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.667431 (E_RNA)
where:
Base-Base interactions energy: -117.529
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.045
local terms energy: -58.093045
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -164.621926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621926 (E_RNA)
where:
Base-Base interactions energy: -101.209
where: short stacking energy: -50.342
Base-Backbone interact. energy: -0.012
local terms energy: -63.400312
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -155.362550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.362550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.362550 (E_RNA)
where:
Base-Base interactions energy: -99.050
where: short stacking energy: -43.676
Base-Backbone interact. energy: -0.330
local terms energy: -55.982591
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -159.455521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.455521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.455521 (E_RNA)
where:
Base-Base interactions energy: -98.824
where: short stacking energy: -45.495
Base-Backbone interact. energy: -0.101
local terms energy: -60.531420
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -235.493201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.493201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.493201 (E_RNA)
where:
Base-Base interactions energy: -156.671
where: short stacking energy: -79.032
Base-Backbone interact. energy: 0.605
local terms energy: -79.426477
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -209.596886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.596886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.596886 (E_RNA)
where:
Base-Base interactions energy: -128.956
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.006
local terms energy: -80.634054
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -20.662
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: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -201.825231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.825231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.825231 (E_RNA)
where:
Base-Base interactions energy: -127.967
where: short stacking energy: -61.927
Base-Backbone interact. energy: -1.182
local terms energy: -72.676372
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -181.587680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.587680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.587680 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.414
local terms energy: -64.617138
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -180.598032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.598032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.598032 (E_RNA)
where:
Base-Base interactions energy: -115.390
where: short stacking energy: -57.101
Base-Backbone interact. energy: -0.628
local terms energy: -64.580094
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -13.501
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: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -172.829626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.829626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.829626 (E_RNA)
where:
Base-Base interactions energy: -110.703
where: short stacking energy: -49.815
Base-Backbone interact. energy: -0.361
local terms energy: -61.765910
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -175.116592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.116592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.116592 (E_RNA)
where:
Base-Base interactions energy: -122.921
where: short stacking energy: -47.747
Base-Backbone interact. energy: 3.482
local terms energy: -55.677918
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -165.802810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.802810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.802810 (E_RNA)
where:
Base-Base interactions energy: -106.487
where: short stacking energy: -41.518
Base-Backbone interact. energy: -0.048
local terms energy: -59.267696
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -159.060293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.060293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.060293 (E_RNA)
where:
Base-Base interactions energy: -108.705
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.270
local terms energy: -50.085252
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -150.126055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.126055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.126055 (E_RNA)
where:
Base-Base interactions energy: -105.700
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.212
local terms energy: -44.213741
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -3.912
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -8.074
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14314927
moves confirmed later: 16477089
all moves confirmed: 30792016
percent of confirmed moves: 3.849002
current total energy: -211.295098
recalc. total energy: -211.295098
replica 3 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 16166451
moves confirmed later: 19012664
all moves confirmed: 35179115
percent of confirmed moves: 4.397389
current total energy: -177.197731
recalc. total energy: -177.197731
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 16430399
moves confirmed later: 19302549
all moves confirmed: 35732948
percent of confirmed moves: 4.466619
current total energy: -181.514284
recalc. total energy: -181.514284
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 19017015
moves confirmed later: 22764564
all moves confirmed: 41781579
percent of confirmed moves: 5.222697
current total energy: -144.230668
recalc. total energy: -144.230668
replica 4 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 13641764
moves confirmed later: 15538848
all moves confirmed: 29180612
percent of confirmed moves: 3.647576
current total energy: -142.411835
recalc. total energy: -142.411835
replica 5 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17719299
moves confirmed later: 21013355
all moves confirmed: 38732654
percent of confirmed moves: 4.841582
current total energy: -118.800454
recalc. total energy: -118.800454
replica 1 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 15529761
moves confirmed later: 18136536
all moves confirmed: 33666297
percent of confirmed moves: 4.208287
current total energy: -137.196314
recalc. total energy: -137.196314
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 16141094
moves confirmed later: 18919617
all moves confirmed: 35060711
percent of confirmed moves: 4.382589
current total energy: -150.792434
recalc. total energy: -150.792434
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 17357638
moves confirmed later: 20570093
all moves confirmed: 37927731
percent of confirmed moves: 4.740966
current total energy: -128.228773
recalc. total energy: -128.228773
replica 9 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 14576435
moves confirmed later: 16800729
all moves confirmed: 31377164
percent of confirmed moves: 3.922146
current total energy: -83.005065
recalc. total energy: -83.005065
out arg RESULTS//1/ZIKV-8a0f3f73_01
Time of doing 8000000 iterations: 3958.751 seconds